93rd Canadian Chemistry Conference and Exhibition

Sunday AM

PL2J. Bassett Theatre

CIC Medal Award Lecture

Organizer(s) - Doug Stephan

10:20 00003 Approaching Chemistry from First Principle with Density Functional Theory Ziegler T.
11:20 End of Session

PL3J. Bassett Theatre

Montreal Medal Award Lecture

Organizer(s) - Doug Stephan

11:20 00004 Chemistry in the Crosshairs Schwarcz J.A.
12:20 End of Session

AN8Room 201 F

Problems and Perspectives for the Analytical Chemist in Biomarker Detection

Organizer(s) - Michael Thompson

08:00 00005 What is a Biomarker? Research Investments and Lack of Clinical Integration Necessitate a Review of Biomarker Terminology and Validation Schema *Ptolemy A.S., Rifai N.
08:20 00006 Selective Biochemical Interactions Studied by an Ultra High Frequency Acoustic Wave Device Sheikh S., $Thompson M.
08:40 00007 Detection of Biomarkers in Biological Fluids with SPR *Masson J.F., Bolduc O.R., Live L.S., Breault-Turcot J., Pelletier J.N.
09:00 00008 Comparison of Feature Selection Techniques Using Chemometric Resolution Metric Sinkov N.A., *$Harynuk J.J.
09:20 00009 Development of GC-MS, LC-MS and Two-dimensional Methods for the Analysis of Serum Metabolites *$McCarry B.E., Amoateng C., Chalcraft K.
09:40 00010 The Detection of an Ovarian Cancer Protein using Two Acoustic Wave Sensors Bokhari S., $Thompson M.
10:00 End of Session

CE3Room 206 E

Student Research in Chemistry Education

Organizer(s) - Cecilia Kutas
Chair(s) - C. Kutas

08:00 00011 Electrons, X-rays and Dust Bunnies: Introducing Elementary School Students to Atomic Theory and the Periodic Table using Electron Microscopy and Energy Dispersive Spectroscopy *Smeaton C.M., Lackie S.
08:20 00012 Online Cross Course Group Work Between Chemistry and Pharmacy Students *$Miller T.A., Cardillo C.M., Bogner R., Neth E.J.
08:40 00013 Kamiks and Kevlar? Chemistry Outreach in the Great White North *Griffin L.D., Smeaton C.M., $Rayner-Canham G.W.
09:00 00014 The Chemistry of Everyday Health and Beauty Products Gorin Z., Della Mora L., Dsouza S., D'Silva K.
09:20 00015 High School Factors Influencing Performance in First-Year University Chemistry Pfefferle J., Hu C., Wang C.A., Ng G., Gewarges M., Colasanto M., Lee J., Hoang K., Gao D., Nguyen B., Genkin I., Cosolo L., Plobner E., *$Stone D.C.
09:40 00016 Factors Influencing Performance in First-Year University Chemistry Hu C., Pfefferle J., Wang C.A., Ng G., Gewarges M., Colasanto M., Lee J., Hoang K., Gao D., Nguyen B., Genkin I., Cosolo L., Plobner E., *$Stone D.C.
10:00 End of Session

EN5Room 201 B

Organic Matter in the Environment: Characterization, Reactivity, Formation

Organizer(s) - Jonathan Abbatt; Andre Simpson

08:00 00017 Studies on the Residence Time and Composition of Marine Dissolved Organic Matter (DOM) Aluwihare L.I.
09:00 00018 Woodsmoke Source Apportionment in the Rural Annapolis Valley, Nova Scotia, Canada *$Gibson M.D., Ward T.J., Wheeler A.J., Guernsey J.R., Seaboyer M.P., Bazinet P., King G.H., Brewster N., Kuchta J., Potter R., Stieb D.M.
09:20 00019 Stability of Thiols in Natural Waters and Interactions with Metals *$Amyot M., Moingt M., Bressac M., Bélanger D.
09:40 00020 Structural Determination of Antarctic Glacial Organic Matter by Direct 1H NMR Spectroscopy *Pautler B.G., Simpson A.J., Tseng L.-H., Spraul M., Dubnick A., Sharp M.J., $Simpson M.J.
10:00 End of Session

INALRoom 205 B D

Rio Tinto Alcan Award Lecture (joint with ICAL)

Organizer(s) - Robert Morris; Nick Toltl

09:15 Introductory Remarks
09:20 00021 How Can One Tell If a Rechargeable Battery Will Last 10 Years - In a Few Weeks? *$Dahn J.R., Smith A.J., Burns J.C., Trussler S.
10:00 End of Session

INPConstitution Hall


Organizer(s) - Robert Morris
Chair(s) - R. Morris

From 12:20 until 13:40

Poster sessions are from 12:20 - 13:40 and 17:40 - 19:20.

12:20 00022 Complexes of Metal Atoms and Unsaturated Hydrocarbon Molecules:Intra- and Intermolecular Cooperativity of Binding *$Naumkin F.Y.
12:20 00023 Bright Metal-to-Ligand Charge Transfer Phosphorescence in Pt(II) Complexes Promoted by Triarylboron *Hudson Z.M., Sun C., $Wang S.
12:20 00025 Tetrahedral to Octahedral Chirality Transfer via the Disassembly of Diruthenium(II,III) Tetracarboxylates Aquino M.A.S., Vadavi R., Conrad E.D., Arbuckle D.I., Lundrigan T.L.
12:20 00026 [Boratabenzene-phosphole]Li: A Study on Aromaticity of Heteroaromatic Rings *$Fontaine F.-G., Bélanger-Chabot G., Rioux P., Maron L.
12:20 00027 Mechanochemically Assisted Preparation of Lithium Nitridometallates and their Application in Hydrogen Storage Langmi H.W., Culligan S.D., Reddy V.B., *$McGrady G.S.
12:20 00028 Mercury(I) Complexes with Bidentate Iminopyridine Ligands: Synthesis, Spectral Characterization and Structural Analysis *Khalaj M., Dehghanpour S., Mahmoudi A.
12:20 00029 Modelling Infrared Spectra of Phosphorous-based Chemical Nerve Agents Mackie I.D., Petryk M., DiLabio G.A.
12:20 00030 (3-Iminophosphine)palladium(II) Complexes: Active Catalysts for the Intermolecular Hydroamination of 1,2- and 1,3-Dienes Kuchenbeiser G., Shaffer A.R., *$Schmidt J.A. R.
12:20 00031 Chromium Diimine Alkoxide Complexes from Protonolysis of Chromocene Zhou W., *Smith K.M.
12:20 00032 Structural and Catalytic Properties of Ruthenium Piano-Stool Complexes Bearing an Anionic Tripodal Phosphine *$Spivak G.J., Walker J.M., Cox A., Wang R.
12:20 00033 Unexpected Oxygen Extrusion of Tantalum Amidate Complexes Under Reductive Conditions *Horrillo-Martinez P., Patrick B.O., Schafer L.L., $Fryzuk M.D.
12:20 00034 Novel Ferrocene-Containing Ligands Derived From Ferrocenylamine Stanlake L.J. E., *$Stephan D. W.
12:20 00035 Homogeneous Metathesis and its Industrial Application - Still a Contradiction? Schachner J.A., Schaaf P.A., Pretot R., $Limbach M.
12:20 00036 Polynuclear Lanthanides Single-Molecule Magnets with High Anisotropic Barriers *Long J., Lin P.-H., Korobkov I., Wernsdorfer W., $Murugesu M.
12:20 00037 Synthesis and Redox Chemistry of Ruthenium Complexes of Verdazyl Radicals and their N-Alkylated Analogues $Johnston C., McKinnon S.D. J., Schwantje T.R., *Hicks R.G.
12:20 00038 Charge Density Studies of Al-based Hydrogen Storage Materials *Sirsch P., Che F.N., Titah J.T., $McGrady G.S.
12:20 00039 Transition Metal Complexes of 2-Formylpyridinethiosemicarbazone (FpyTSC), X-Ray Crystal Structures of [Pd(FpyTSC)(PPh3)]PF6 and Pd(FpyTSC)(SCN) Elsayed S.A., El-Hendawy A.M., Mostafa S.I., Butler I.S.
12:20 00040 Synthesis and Characterization of a Series of Halide-bridged Multinuclear Iron(II) and Cobalt(II) Diamido Complexes and Dinuclear, High-Spin Fe(II) and Co(II) Alkyl Derivatives Moatazedi Z., *$Leznoff D.B.
12:20 00041 Toward Ruthenium(II) Tandem Cyclopropanation Catalysts Lummiss J., $Fogg D.E.
12:20 00042 Novel Atomic Layer Deposition Precursors for Group 11 Thin Metal Films Kurek A., *$Barry S.T.
12:20 00043 Comparative Study of Cadmium(II) Selenourea and Thiourea Complex Formation Amini Z., *Jalilehvand F.
12:20 00044 Late Transition Metal Complexes and Reactivity of Novel Cyclic Phosphinimines Brown C.C., $Stephan D.W.
12:20 00045 Cadmium Thiophenolate Complexes as Precursors to Mesostructured CdS Levchenko T.I., Huang Y., Corrigan J.F.
12:20 00046 Long Range Sensitization of Photolabile Complexes in Multimetallic Assemblies on Metal Oxide Surfaces Rahman M.A., *$Thompson D. W.
12:20 00047 Four-coordinated Zinc(II) Complexes with Iminopyridine Ligands *Khalaj M., Dehghanpour S., Mahmoudi A., Nasrollahzadeh M.
12:20 00048 High-Throughput Technology In Academic Research Clément R.C.
12:20 00049 Synthesis of Chiral Chelating Ligands derived from Amino Acids Etkin N.
12:20 00050 Synthesis, Characterization, and Structures of Copper (I) Complexes with N,N'-bis [1-(4-chlorophenyl)ethylidene]ethane-1,2-diamine and N,N'-bis[1-(4-nitrophenyl) ethylidene]ethane -1,2-diamine *$Mahmoudi A., Dehghanpour S., Sadeh S.
12:20 00051 Activation of Small Molecules via Main Group Radicals $Giffin N.A., Hendsbee A.D., Rogers T.D., *Masuda J.D.

Graduate Student Posters - General IN

12:20 00054 Transition Metal Complexes of Some Ditopic, Tetratopic and Hexatopic Ligands Towards Large [nxn] Square Grids (n = 2 - 6) Elliott A.S., *Thompson L., Dawe L.N.
12:20 00055 P-X Bond Formation Reactions of Electrophilic Phosphinidene Complexes $Vaheesar K., Bolton T.M., East A.L.L., Rakesh A.R., *Sterenberg B.T.
12:20 00056 Layered Inclusion Compounds of Leu-Ala Dipeptide with Small Organic Molecules Yazdani A., Chirmanov V.V., *Soldatov D.V.
12:20 00057 Biopolymer Chirality at Work! Babin M., Fontaine F.-G., Gagnon J.
12:20 00058 Magnetic Properties of 1,2,3,5-diselenadiazolyl Coordination Complexes of First Row Transition Metal Ions MacDonald D.J., $Preuss K.E., Clerac R.
12:20 00059 Unexpected Catalytic and Stoichiometric Reactivity of Novel Mo(IV) Imido Silylhydrides Khalimon A.Y., Nikonov G.I.
12:20 00060 Continuing the Exploration of the Heterocyclic Chemistry of Group 14 Elements: Pyrrolides and Indolides Poisson J., Wharf I., Bohle D.S., Barsan M. M., Gu X., Butler I.S.
12:20 00061 Metal-Free Dehydrocoupling to Yield Distannanes Khan A., Gossage R., Foucher D.
12:20 00062 Design of New Polymetallic Free Radical Complexes Revunova K., Adugna S., *$Lemaire M.T., Jenkins H.A.
12:20 00063 Photoinduced EPT in Re-based Chromophore Quencher Assemblies Dongare P., $Thompson D.W.
12:20 00064 Excited States in Polymetallic Clusters: New Scaffolds for Excited States within Spatially-Confined Ligand Systems Smith S.R., *$Thompson D. W.
12:20 00065 Modification of Polymers Using C-H Activating Transition Metal Catalysts McArthur S., *$Baird M.C.
12:20 00066 Chromophore Design: Can One Control Vibrational Modes in MLCT Excited State Decay? Khan M.S., *Poirier R.A., $Thompson D.W.
12:20 00067 Ester Hydrogenation Reactions Catalyzed by Ruthenium Complexes Jaksic B.E., *$Baird M.C.
12:20 00068 NMR Studies of the Chemistry of Alkyl Alkene Complexes of the Type [Cp2M(Me)(alkene)]+ (M = Ti, Zr) Dunlop-Briere A.F., Sauriol F., Sonnenberg J.F., *$Baird M.C.
12:20 00069 Approaches to Metcars Synthesis Fowler K.G., Fraser A. W., *$Baird M.C.
12:20 00070 Synthesis, Characterization and Properties of Three-Coordinate Boron based 8-Hydroxyquinoline Ligands Zlojutro V., Sun Y., *Wang S.
12:20 00071 Selective Oxidation of Crotyl Alcohol Using Au-Pd Core-Shell Nanoparticles Balcha T., Strobl J., Scott R.W.J.
12:20 00072 Reactivity of Platinum Complexes Containing a Pt-Cl-B Interaction with Borabenzene Barnes S.S., *Fontaine F.-G., Maron L.
12:20 00073 A Ditopic Ligand for "Needle and Thread" Coordination Frank N.C., $Loeb S.J.
12:20 00074 The Synthesis of Phosphinimine Containing Pincer Ligands: Metal Complexation and Unexpected Ligand Reactivity Sgro M.J., $Stephan D. W.
12:20 00075 Rotaxanes Containing Functional Crown Ethers: The Synthesis of Inverse Metal-Organic Rotaxane Frameworks (i-MORF) Mercer D.J., *Loeb S.J
12:20 00076 A Polynuclear Dysprosium(III) Single-Molecule Magnets with a Large Anisotropic Barrier Lin P.-H., Burchell T.J., Ungur L., Chibotaru L.F., Wernsdorfer W., Murugesu M.
12:20 00077 Synthesis and Reactivity of Homoleptic Tri-Alkyl Lanthanide Complexes Using N,N-Dimethylbenzylamine as a Ligand Scaffold Behrle A.C., $Schmidt J.A.R.
12:20 00078 Early Transition Metal Catalysts Incorporating N,O-Chelating Ligands for the Catalytic Synthesis of Amines Payne P.R., *$Schafer L.L.
12:20 00079 Ferrocene Based Dithiolate Ligand for Nanocluster Assembly Khalili Najafabadi B., *Corrigan J.F.
12:20 00080 Synthesis of Amine Stabilized Nanoparticles to be used in Ligand Exchange Reactions Rak M.J., Luska K.L., Moores A.
12:20 00081 Cationic Complexes of Silicon(II) and Tin(II) Avery J.C., Rupar P.A., $Baines K.M.
12:20 00082 Phosphonium Ionic Liquids as Metal Extractants Dube J.W., Ragogna P.J.
12:20 00084 Screening of Mono-, Bi- and Trimetallic Heterogeneous Nanoparticle Catalysts Supported on Mixed-Metal Oxides for Polyaromatic and Hetercyclic Aromatic Hydrogenation Activity Dehm N.A., $Buriak J.M., Clement R.
12:20 00085 A New Tetrahedral Ligand for Metal-Organic Frameworks Caputo C.B., $Loeb S.J.
12:20 00086 Palladium b-Diiminate Chemistry: Reactivity with Donor Ligands, and Transmetallation Reagents Annibale V.T., *$Song D.
12:20 00087 Late Transition Metal Complexes of n3-Coordinated Vinylboranes Kolpin K.B., *Emslie D.J.H.
12:20 00088 Charge Transport and Charge Transfer Parameters of Organic Redox Shuttles for Lithium Batteries Trinh N.D., *Schougaard S.B., Liang G.
12:20 00089 Stability Study of Chemical Deinsertion of Lithium in LiCoO2 and LiMn2O4 Lepage D., *Schougaard S.
12:20 00090 Studies of Iron Polyfluorometallacycle Complexes Enroute to the "Green" Catalytic Synthesis of Hydrofluorocarbons Granville S.L., *Baker R.T.
12:20 00091 High-Valent Polyfluoronickelacycles: Intermediates for Green Routes to Hydrofluorocarbons Hunter N.M., Farhat A., Pell W., Korobkov I., *$Baker R.T.
12:20 00092 Spectral and Electrochemical Behavior of Scorpionate Complexes - Towards an Electrochemical Molecular Switch Vachon J., Majoral M., Ayme-Perrot D., *Schougaard S.B.

Biodegradable / Green Polymers: Catalysis to Materials

12:20 00093 Silicone Polyesters and Polyamides Frampton M.B., Subczynska I.T., *$Zelisko P.M.

Graduate Student Posters - Biodegradable / Green Polymers

12:20 00094 Synthesis and Characterization of Stereocontrolled Biodegradable Polymer Stars *Shaver M.P., Cameron D.A.
12:20 00095 Yttrium Amidate Complexes for the Catalytic Synthesis of Biodegradable Polymers Thomson J., *$Schafer L.

Interplay of Ligand Design and Small Molecule Activation

12:20 00096 Toward Molecular 'S4'Mo with Two Open Sites: Nitrile Complexes of Molybdenum Bisdithiolenes Gapinska A., *Fekl U.
12:20 00097 Transfer Hydrogenation of Ketones Using Iron(II) Catalysts: Ligand Effect In H2 Transfer Mikhailine A.A., *Lagaditis P.O., Lough A.J., $Morris R.H.
12:20 00098 Ligand-Centered Alkene Reactivity of Metal Trisdithiolenes and Applications to Metal Dithiolene Synthesis $Nguyen N., Harrison D.J., *Fekl U.
12:20 00099 Synthesis, Characterization and Reactivity of a Novel Arylspiroboronate Ester Melanson J.A., Halcovitch N.R., Vogels C.M., Decken A., *Westcott S.A.

Graduate Student Posters - Interplay of Ligand Design and Small Molecule Activation

12:20 00100 Synthesis and Reactivity of Late Metal Complexes Featuring New PSiN Mixed Donor Tridentate Silyl Ligands Ruddy A.J., $Turculet L.

Main Group Chemistry

12:20 00101 Investigating Allylindium Structure and Reactivity Allan C.J., *$Macdonald C.L.B.
12:20 00102 Stabilization of Multiple Metal-Metal Bonds with New Bulky Ligand Frameworks Caputo C.A., $Power P.P.
12:20 00103 Synthesis in Supercritical Water, X-ray Structural Analysis and Vibrational Spectra of Some New Metal Phosphates Assaaoudi H., Butler I.S., Kozinski J.A.
12:20 00104 Recent Developments in Neutral Low-Oxidation State Phosphorus Oligomers Farrar G.J., *Macdonald C.L.B.
12:20 00105 Addition Polymerization of a Silene *Guo J., Pavelka L., $Baines K.
12:20 00106 A New Dithiazolyl Fused o-Quinone; A Potential Spin Bearing Ligand Smithson C.S., *$Preuss K.E.
12:20 00107 Magnetic Anisotropy in a Radical Ferromagnet Winter S.M., *Oakley R.T., Hill S., Datta S.
12:20 00108 Reactivity of Main Group Radicals with N-Heterocycles and Elemental Phosphorus Giffin N.A., Rogers T.D., Hendsbee A.D., $Masuda J.D.
12:20 00109 New Thiophene Substituted N-Heterocyclic Phosphenium Cations Price J.T., *Jones N.D., $Ragogna P.J.
12:20 00110 Pnictinopnictonium Cations: New Interpnictogen Frameworks Exploiting P[Pn Coordination Chemistry Pickup J.E., Conrad E., Burford N., McDonald R., Ferguson M.J.
12:20 00111 Towards Four-Membered N-Heterocyclic Phosphenium Cations Supported by Dianionic Guanidinate Ligands Brazeau A.L., Jones N.D., *$Ragogna P.J.
12:20 00112 The Development of New Strategies for the Stabilization of Novel Inorganic Bonding Environments *$Al-Rafia S.M. Ibrah, Rivard E.
12:20 00113 Metal-Free Catalytic Hydrogenation of Imines by Frustrated Lewis Pairs Greenberg S., *Graham T. W., Chase P.A., $Stephan D. W.
12:20 00114 Microwave Assisted Synthesis of Nanocatalysts and Nanoparticles $Porter K.A., *Barnhardt E.K.

Graduate Student Posters - Main Group Chemistry

12:20 00115 Semi-quinone Bridged Bisdithiazolyls Yu X., Mailman A.M., *Oakley R.T.
12:20 00116 Sulfur(IV) Chemistry: Adducts of SF4 with Nitrogen-Bases and Phase Properties of SF3+ Salts Chaudhary P., *$Gerken M., Hazendonk P., Mercier H.P.A.
12:20 00117 Synthesis and Characterization of a New Thiadiazolo- Fused p-Semiquinone Morgan I.S., Jennings M., *$Preuss K.E.
12:20 00118 Crown Ether Complexes of Low Valent p-Block Elements RoyChowdhury R., *$Macdonald C.L. B
12:20 00119 Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane Menard G., $Stephan D.W.
12:20 00120 The Isolation and Reactivity of New Sulfur(II) Cations Martin C.D., Ragogna P.J.
12:20 00121 Synthesis of Neutral Heteroles Containing Group 13 Elements Gezahegn S., *$McWilliams A.R.
12:20 00122 Synthesis and Characterization of Pyridin-4-one Bis-Dithiazolyl Neutral Radical Ligand Carello C.E., *$Preuss K.E.

N-Heterocyclic Carbene Chemistry

12:20 00123 New Pincer Complexes of Nickel $Bertoli M.
12:20 00124 New Thiophene Analogues of Bis(imino)acenaphthene and their NHC Complexes Price J.T., *Jones N.D., $Ragogna P.J.
12:20 00125 Coordination of Imino-N-Heterocyclic Carbenes to Early Transition Metals Larocque T., *$Lavoie G.G.
12:20 00126 Synthesis of Rhodium N-Heterocyclic Carbene Complexes and their Reactions with Oxygen Keske E., Praetorius J.M., *$Crudden C.M.
12:20 00127 Coordination Study of Imino-N-Heterocyclic Carbene Ligands to Group 10-12 Transition Metals Badaj A.C., *$Lavoie G.G.
12:20 00128 Coordination Study of Bis(Imino)-N-Heterocyclic Carbene Pincer (NCN) Ligand to Late Transition Metals Al Thagfi J., *$Lavoie G.G.

Rings, Chains and Polymers with Inorganic Elements

12:20 00129 Perfluorinated Polystannanes Miles D., Foucher D.
12:20 00130 Pyridine Donor Stabilized Aluminum and Gallium Compounds for the Synthesis of [1]FCPs Breit N.C., Ancelet T., *Müller J., Quail J.W., Schatte G.
12:20 00131 Self-assembly of Oligomeric Cyclic bis(dipyrrinato) Metal Complexes Miao Q., *Dolphin D.
12:20 00132 Dithienophosphole as Building Block for p-Conjugated Oligomers Durben S., *$Baumgartner T.
12:20 00133 Poly(methylenephosphine)-Polystyrene Copolymers in Transition Metal-Catalyzed Organic Reactions Krummenacher I., $Gates D.P.
12:20 00134 The Serendipitous Formation of High Order Ruthenium Chloride Clusters by Laser Desorption Ionization of RuCl33H2O Boncheff A.G., $Monteiro M.A.

Graduate Student Posters - Rings, Chains and Polymers with Inorganic Elements

12:20 00135 Exploring the Reactivity of RECl2 (E = Al/Ga) to Prepare New Ferrocene Derivatives Bagh B., Lund C.L., *Müller J., Schatte G.

Symposium in Honour of Dick Puddephatt

12:20 00136 Synthesis and Reactivity of RCpNiLL' Complexes: Steric and Electronic Effects of the Ligands Chadha P., Ragogna P.J.
12:20 00137 Insights On Metallation of Pincer-Type Ligands by Nickel(II) Vabre B., *$Zargarian D., Ess D.
12:20 00138 Efficient Production of Hydrido(carbonyl) Ruthenium Complexes from 1st and 2nd-Generation Grubbs Catalysts Beach N.J., $Fogg D.E.
12:20 00139 POCN(amino)-Type Pincer Complexes of Nickel(II) and Nickel(III) Spasyuk D.M., *$Zargarian D.
12:20 End of Session

MS6Room 202 A

Green Polymer Production and Processing

Organizer(s) - Shiping Zhu; Michael Cunningham
Chair(s) - M. Cunningham

08:00 00140 Development of New High Performance Renewably Sourced 1,3-Propanediol Based Polymers Spence R., Berg D., Xie T., Godbille F., Muliawan E., Miller R.
08:40 00141 Strategies for Manufacturing Environmentally Degradable Packaging Plastics *$Choi P.
09:20 00142 Characterizing Lignocellulosic Biomass Fractionation in Ionic Liquids Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Analysis *Champagne P., Cunningham M.F., Krasznai D., FitzPatrick M., Faulkenburger C.
09:40 00143 "Core-First" Synthesis of Three-Arm Star Polyethylene via Ethylene "Living" Polymerization with a Novel Trinuclear Pd-Diimine Catalyst Zhang K., *$Ye Z., Subramanian R.
10:00 End of Session

OR4Room 202 C


Organizer(s) - Mark S. Taylor
Chair(s) - A. Boyer

08:00 00144 An Indirect Approach Toward Benzo-fused Carbocycles and Cascade Intramolecular Conjugate Displacement Reactions Chen Z., Sunasee R., *$Clive D.L.J.
08:20 00145 Enantioselective Total Synthesis of (1R, 1'S)-temuconine, a Bisbenzytetrahydroisoquinoline Alkaloid Zein A.L., *Georghiou P.E.
08:40 00146 Photochemical Rearrangement of N-substituted lactams: A New Route to N-heterocycles through Concerted Ring Contraction Winter D.K., Drouin A., Lessard J., Spino C.
09:00 00147 THAM-based Derivatives as Entries to Novel Antibacterial Pharmacophores Calzavara J., $McNulty J., *Wright G.
09:20 00148 Progress Towards Intermolecular Desulfinylative and Decarboxylative Palladium-Catalyzed Cross-Coupling Reactions Bilodeau F., *Forgione P., Brochu M.-C., Thesen K.H., Guimond N., Desharnais B., Sévigny S., Aly S.
09:40 00149 Organocatalytic Tether Formation: A Strategy Enabling Directed Intermolecular Cope-Type Hydroaminations Ng P.J., MacDonald M.J., $Beauchemin A.M.
10:00 End of Session

OR6Room 206 B D

Modern Physical Organic Chemistry

Organizer(s) - Fraser Hof
Chair(s) - S. Murphy

08:00 00150 Constitutional Exchange in CN containing Molecules *$Petitjean A., Keyes L., Barker S.
08:20 00151 A Theoretical Study of the Copper (II) Carboxylate-promoted Aminooxygenation of Unactivated Olefins *Dudding T., Belding L., Paderes M., $Chemler S.
08:40 00152 Evidence for C-H...O Interactions from Aromatic ortho-H Atoms in NSO Compounds Boateng S., Malla P., Li S., *$Muchall H.M.
09:00 00153 Halogen-bonding in Organic Solution: Fundamental Studies and New Applications Sarwar M.G., Dragisic B., Salsberg L.J., Chudzinski M.G., Gouliaras C., *$Taylor M.S.
09:20 00154 Anions and Aromatic Rings: Fluorescent Signaling and Attractive Interactions? *$Johnson D.W.
10:00 End of Session

PTPConstitution Hall


Organizer(s) - M. Cynthia Goh
Chair(s) - C. Goh

From 12:20 until 13:40

Poster sessions are from 12:20 - 13:40 and 17:40 - 19:20.

12:20 00155 Substituted Gemini Surfactant Binding to DNA: Effect of Spacer Group Hydrophobicity *Kaur T., Wettig S., Akbar J., Wang H., Sheinin T.
12:20 00156 Thermodynamic Investigation of the Binding of Dissymmetric Pyrenyl-Gemini Surfactants to DNA *$Wettig S.D., Deubry R., Kaur T., Akbar J., Wang L., Sheinin T.
12:20 00157 Insertion Complexes of Organic Molecules and Ion-Pair Linkers Kochhar G., *$Naumkin F.Y.
12:20 00158 Thionine Sensitized Areobic Photooxidation of Thiourea in Acidic Medium *$Azmat R., Saleem N.
12:20 00159 Structures and Energetics of [UnCa]2+ (n=14-4, U=Uracil) Clusters by Blackbody Infrared Radiative Dissociation (BIRD) and Theoretical Studies Gillis E.A.L., *$Fridgen T.D
12:20 00160 An Ornstein-Zernike-like Model for the Exchange-Correlation Hole in the Homogeneous Electron Liquid *$Cuevas Saavedra R., Ayers P. W.
12:20 00162 Kinetics of Proton Depended Oxidation of Diethylthiourea with Methylene Green in Aqueous Medium Ahmed T., *Azmat R., $Uddin F., Ahmed K.
12:20 00163 A Facile and Convenient Computational Determination of Group Electronegativity Moran M.D., Jones J.-P., Prakash G.K. S., Olah G.A., Wilson A.A., Houle S., *$Vasdev N.
12:20 00164 Isotope Effects on Ionization Constants of CH3COOH and CH3COOD Measured in H2O and D2O from 100 oC to 275 oC and 20 MPa Erickson K.M., *Tremaine P.R., Raffa D.
12:20 00165 Viscosity Models for Liquid Mixtures *Al-Gherwi W.A., $Asfour A.A.
12:20 00166 Ion Association in Dilute NiSO4 Aqueous Solutions Based on AC Impedance Spectroscopy from 398-448 K at 19 MPa and the Standard Thermodynamic Properties for the Association Reaction Madekufamba M., *Tremaine P.R.
12:20 00167 Intriguing Behaviour of Degenerate Ground States in Density Functional Reactivity Theory Johnson P.A., Cárdenas C., *$Ayers P. W.
12:20 00168 An Ab Initio Study of the Thermodynamics and Kinetics of Beryllium(II) Hydrolysis *Pye C.C.
12:20 00169 Coordinate Scaling of the Kohn-Sham Exchange Energy Functional: A Legendre Transform Approach to the Optimized Effective Potential *$Cuevas-Saavedra R., Ayers P. W.
12:20 00170 Second Generation Peroxyl Radical Clocks Hanthorn J.J., Jha M., *$Pratt D.A.
12:20 00171 In Situ High-pressure Study of Sodium Amide by Raman and Infrared Spectroscopy Liu A., *Song Y.
12:20 00172 Two-Dimensional Photon Echo Spectroscopy of CdSe Nanocrystal Quantum Dots Wong C.Y., Scholes G.D.
12:20 00173 Active Site Dynamics and Large Scale Domain Motions of Sulfite Oxidase: A Molecular Dynamics Study Pushie M.J., *$George G.N.
12:20 00174 Complexation of Cavitands with a Fluorescent Guest Molecule Yundt N.P., $Lagugné-Labarthet F.
12:20 00175 Methods for Finding Transition States on Reduced Potential Energy Surfaces *Burger S.K., $Ayers P.W.
12:20 00176 Chemical Control of the Self-Assembly of an Engineered Tobacco Mosaic Virus Coat Protein Zahr O.K., Korpany K.V., *$Blum A.S., Bruckman M.A., Soto C.M., McDowell H., Lin J., Ratna B.R.
12:20 00177 Quasichemical Theory of Ion Solvation: Validation and Extension to Amide-Containing Solvents Rowley C.N., Yu H., Whitfield T., *$Roux B.
12:20 00178 To Stabilize the Merocyanine Form of Spirooxazine by Zinc Complexation: Approach to a Bistable Photochemical Switch Stairs R.A., Tian T., Wyer M., Mosey N., Dust J.M., Kraft T.M., *Buncel E.
12:20 00179 Broadband Microwave Spectrum of 1,1,1-trifluoro-2-butanone Evangelisti L., Sedo G., *$van Wijngaarden J.A.
12:20 00180 Complex Oscillations in a Chemical System with Coupled Nonlinear Feedbacks Zhao J.P., *Li J., Wang J.
12:20 00181 Double Ionisation and Ionic Fragmentation of the Isomers Propyne and Allene Neville J.J., Igarashi R., Sankari A., Sankari R., Zuin L.
12:20 00182 Formation and Persistence of Ar2H+ Formed in Electron Bombardment Matrix Isolation Conditions Baldwin J., Parnis J.M., *Thompson M.G.K.
12:20 00183 Complex Behavior in the Coupled Autocatalytic Reaction Processes *Li J., $Wang J.
12:20 00184 The Micellar and Surface Properties of a New Type of Dimeric Surfactant Pentaerythritol Based Dimeric Surfactants Jahan N., Karpichev Y., Paul N., Mercer T., Tran T., $Grindley T.B., Petropolis C.P., Marangoni D.G.
12:20 00185 High-Pressure Raman Microscopy Investigation of Azobenzene Isomerisation Singleton T.A., Ramsay K.S., Butler I.S., *Barrett C.J.
12:20 00186 Observation of Acoustic Phonons in Thin Monocrystalline Bismuth Films Moriena G., Hada M., Matsuo J., Lu C., Jean-Ruel H., Gao M., Cooney R., Karantza A., Sciaini G., *$Miller R.J.D.
12:20 00187 A Two-step "Green" Approach Towards Smaller Au Nanoparticles with Significantly Enhanced Colloidal Stability Ma D., Zhang J., Riabinina D., Chaker M.
12:20 00188 Viscoelastic Surfactant Solutions Petropolis H., Singh K., *$Marangoni D.G., Perry M., Bahadur P.
12:20 00189 Mechanistic Studies of Allium-Derived Antioxidants Lynett P.T., Butts K., Vaidya V., $Pratt D.A.
12:20 00190 A Molecular Dynamic Study of 2-(4-butyloxyphenyl)-5-octyloxypyrimidine (2PhP) and 5-(4-butyloxyphenyl)-2-octyloxypyrimidine (5PhP) Liquid Crystal Phases Pecheanu R., Cann N.M.

Graduate Student Posters - General PT

12:20 00191 An Interfacial Examination of the Interactions Between Gemini Surfactants, Neutral Helper Lipids and Deoxyribonucleic Acid Akbar J.R., *$Wettig S.D.
12:20 00192 Origin of the High Fidelity of RNA Pol II - A Computational Approach de la Lande A., Zhang R., *$Salahub D.R.
12:20 00193 Synthesis and Aggregation Properties of Dissymmetric Phytanyl-Gemini Surfactants for use as Improved DNA Transfection Vectors Wang H., *$Wettig S.D.
12:20 00194 Electrochemical Studies of Ceramic Carbon Electrodes Prepared with Sulfonated Organosilane Precursors Eastcott J.I., *$Easton E.B.
12:20 00195 Study of the Decomposition of Methylsilanes on a Hot Metal Filament (W and Ta) Toukabri R., Shi Y.
12:20 00196 Plasmonic Properties of Fischer's Patterns: Polarization Effects Galarreta B.C., Norton P.R., *$Lagugné-Labarthet F.
12:20 00197 Exploring the Effect of Methyl Substitution on the Structures, IR Spectra, and Electronic Transitions of Disilacyclobutane Molecules $Cai Z., *Shi Y.J.
12:20 00198 Femtosecond Molecular Photocrystallography Gao M., Jean-Ruel H., Cooney R.R., Lu C., Sciaini G., Moriena G., Miller R.J.D.
12:20 00199 Quantum Chemical Studies on the Mechanical Activation of Pericyclic Reactions Kochhar G.S., Bailey A., *Mosey N.J.
12:20 00200 A Combined MD and QM/MM Investigation on Substrate Binding and Catalytic Mechanism of threonyl-tRNA Synthetase Huang W., Bushnell E., Llano J., *$Gauld J.W.
12:20 00201 Novel Nanoscale Architectures of Tobacco Mosaic Virus Coat Protein for the Design of Functional Materials Korpany K.V., Zahr O.K., *$Blum A.S., Bruckman M.A., Soto C.M., McDowell H., Ratna B.R.
12:20 00202 An Investigation in the Generation of Peroxynitrite in the Presence of Heme Enzymes Ion B., Bushnell E.A.C., Llano J., *$Gauld J.W.
12:20 00203 Morphology and Lateral Diffusion of Bicellar Mixtures Containing Pluronic F68 Mahathantila I.D., *Macdonald P.M.
12:20 00204 Quantitative Determination of Cell Surface Markers on Chronic Lymphocytic Leukemia (CLL) Cells Niu S., Berini P., Wang C., Zou S., Chan R.
12:20 00205 Solid State Electrolytes for Li Ion Batteries Spencer L., Goward G.R., Thangadurai V.
12:20 00206 An Investigation into the Binding of Arachidonic Acid and O2 Within the Active Site of 8RLOX Bushnell E.A.C., Llano J., *$Gauld J.W.
12:20 00207 Preventing Merocyanine (MC) Ring Closure to the Spiropyran (SP) in an SP-MC Photoswitch Boyd A.R., Jessop P.G., Buncel E.
12:20 00208 An Investigation into the Importance of an Amino Acid Residue in the Peroxidation of Arachidonic Acid by 8RLOX Jamil R., Bushnell E.A.C., Llano J., *$Gauld J.W.
12:20 00209 N-Representability of the 2nd-Order Reduced Density Matrix: Necessary Diagonal Conditions Johnson P.A., *$Ayers P. W.
12:20 00210 Temperature and Solvent Dependence of CdSe/CdTe Nanorod Spectra Lo S.S., Khan Y., Jones M., *$Scholes G.D.
12:20 00211 Energy Transfer Studies Using Rare Earth Doped Upconverting NaYF4 Nanoparticles Goel V., Lennox R.B., Perepichka D.F.
12:20 00212 Solid State NMR: Proton Detection in Proteorhodopsin Ward M.P., Shi L.S., Lake E., Ahmed M.M., Zhang W., Brown L.S., $Ladizhansky V.
12:20 00213 33S Ultrahigh-Field Solid-State NMR and First Principles Calculations in Inorganic Sulfates Pallister P.J., *Moudrakovski I.L., $Ripmeester J.A., Enright G.D.
12:20 00214 Molecular Mechanism of Amyloid Inhibition by Inositol Li G., $Pomes R.
12:20 00215 Environmentally Friendly Synthesis of Polypyrrole within Polymeric Nanotemplate - Mechanism of Polypyrrole Synthesis *Li X., $Malardier-Jugroot C.
12:20 00216 Synthesis of Supported Nanoparticles toward Catalytic Reactions $Pardoe A., Netto-Ferreira J.C., Stamplecoskie K.G., Scaiano J.C.
12:20 00217 Sulfur 1s Near Edge X-ray Absorption Fine Structure (NEXAFS) of Thiol and Thioether Compounds Behyan S., Hu Y., Urquhart S.G.
12:20 00218 Generalized Exciton Model Applicable to Nanomaterial Heterojunctions *$Khan Y.R.
12:20 00219 Solid-State Vibrational Spectra from DFT Calculations $Kuss C., Liang G., *Schougaard S.
12:20 00220 Antioxidant Potential of Substituted Tertiary-Benzylamine Selenols Heverly-Coulson G.S., Boyd R.J.
12:20 00221 Conformational Study of Glycosylated Peptides Naziga E.B., Wetmore S.D., Schweizer F.

Coherence and Decoherence in Molecular Dynamics

12:20 00223 Long-Lived Coherences in Two-Dimensional Photon Echo Spectroscopy Halpin A., Prokhorenko V.I., $Miller R.J.D.
12:20 00224 Two-Dimensional Photon Echo Spectroscopy of the Isomerization of Retinal in Bacteriorhodopsin Prokhorenko V.I., Halpin A., Johnson P.J.M., $Miller R.J.D., Brown L.
12:20 00225 Relation Between Entanglement and the Inverse Participation Ratio of Molecular Aggregates: A Numerical Study Smyth C., Scholes G.D.
12:20 00226 Collisional Decoherence of Internal State Superpositions in a Trapped Ultracold Gas *Hemming C.J., $Krems R.V.
12:20 00227 Dynamics of Decoherence in the Haken-Strobl Model *Singh N., $Brumer Paul
12:20 00228 Computer Simulations of Proton Transfer Between a Histidine and Water Ayissi S., $Consta S.

Theoretical Chemical Physics

12:20 00230 Theoretical Computations on the Retro-ene Reactions: Allyl Methyl Amine Pyrolysis in the Gas phase *$Izadyar M., Harati M.
12:20 00231 Application of the Constrained Variation DFT Method to Charge Transfer Excitations in Donor-Acceptor Complexes Ziegler T., Krykunov M.
12:20 00232 Calculation of MCD Spectra with TDDFT Seth M., Hernandez-Marin E., Zhekova H., Ziegler T
12:20 00233 TDDFT Gradients- Excited State Geometry Optimizations with ADF Seth M., Ziegler T.
12:20 00234 Thermal Conductance of the Fermi-Pasta-Ulam Chains: Atomic to Mesoscopic Transition Nicolin L., $Segal D.
12:20 00236 Structures and Interaction of Actinyl Species Adsorbed onto Rutile (110) Surface: A Density Functional Study $Pan Q.-J.an, *Schreckenbach G.
12:20 00237 Investigation of the Extended Spin-Boson Model with QUAPI Method Yu C.X., $Segal D,
12:20 00238 Density Functional Calculations of Substituted (-SH, -S, -OH, -Cl) Hydrated Ions of Hg2+ Afaneh A., *Schreckenbach G., Wang F.
12:20 00239 Three-body Interactions in Clusters CO-(pH2)n *Manzhos S., Nakai K., $Yamashita K.
12:20 00240 Hirshfeld-I Population Analysis Along the Reaction Path of SN2 Reactions Echegaray E., *$Ayers P. W., Toro-Labbé A.
12:20 00241 pKa Predictions for Buried Protein Residues: Empirical vs. Poisson-Boltzmann Methods Mohammed A.A.K., Burger S.K., Ayers P.W.
12:20 00242 Molecular Mechanism of Proton Uptake in Cytochrome c Oxidase Caplan D.A., Henry R., Ching-Hsing Y., Fadda E., *$Pomès R.
12:20 00243 Nonempirical Density-Functional Theory for Van der Waals Interactions Arabi A.A., *Becke A.D., Kannemann F.O.
12:20 00244 Theoretical and Simulation Study of Charge-induced Conformational Transitions of Poly(ethylene glycol) Chung J.K., $Constas S.
12:20 00245 Model Studies of a Polaron in a DNA Cation Wu J., *Boyd R.J.
12:20 00246 Building a Better Thermostat: Exploiting the Geometry of Non-Hamiltonian Phase Space *$Ezra G.S., Collins P., Sergi A., Wiggins S.

Graduate Student Posters - Theoretical Chemical Physics

12:20 00247 Uncovering Order in Disorder: A Molecular Simulation Study of the Self-Assembly of Elastin *Rauscher S., $Pomès R.
12:20 00248 Novel Basis-Set Free Approaches to Solving the Electronic-Schrödinger Equation *$Anderson J.S.M., Ayers P.W.
12:20 00249 Atomistic Mechanisms of Host Toxicity in Antimicrobial Peptides Neale C., Hsu J., Madill C., Yip C., *$Pomes R.
12:20 00250 Theoretical Investigation of Molecular Ion Solvation in Aqueous Clusters Jahangiri S., *Peslherbe G.H.
12:20 00251 Actinide and Cisplatin Complexes in the Hydrophobic Cavities of Tetrabrachion Odoh S.O., *$Schreckenbach G., Stetefeld J.
12:20 00252 Systematic Design of Unimolecular Star Copolymer Micelles Using Molecular Dynamics Simulations Huynh L., Neale C., Pomès R., *Allen C.
12:20 00253 Theoretical Studies of Electron Solvation Dynamics in Photoexcited Iodide-Polar Solvent Clusters Mak C.C., Peslherbe G.H.
12:20 00254 Molecular Basis for the Solvation and Reconstructive Denaturation of Proteins by Detergents Holyoake J., Privé G., *$Pomès R.
12:20 00255 Testing Kinetic Energy Functional for 2-Density Functional Theory Chakraborty D., $Ayers P. W.
12:20 00256 A Direct Dynamics Study of H Transfer in Clusters of OH-H2O on Pt(111) *$Manzhos S., Yamashita K., Goyer F., Iftimie R., Rivard Gaudreault U.
12:20 00257 Evaluation of Ground-State Correlation Energies Using an Empirical Model *Noorizadeh S., Parsa H.
12:20 00258 NICS-Rate as a New Measure of Aromaticity in Inorganic Clusters Noorizadeh S.
12:20 00259 Inelastic Collisions in Ultracold Gases Confined by One-dimensional Optical Lattices Li Z., *$Krems R.V.
12:20 00260 Atomistic and Coarse-Grained Molecular Dynamics Simulations of Ab40/SDS Micelle Interaction *Jalili S.
12:20 End of Session

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