ORGNSunday, 10 September 2006

8:00 AM-11:40 AM Moscone Center -- Room 133, Oral
Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry, and High-Energy Species
Presiding:Thorfinnur Gunnlaugsson
8:00 AMNovel Ru(bpy)3-naphthalimide complexes as DNA probes
Thorfinnur Gunnlaugsson, Gary Ryan, Susan Quinn
8:20 AMObservation of a “Cu(III)“ intermediate: Structure determination by NMR and density functional theory (DFT) calculations
Steven H. Bertz, Craig A. Ogle, James P. Snyder
8:40 AMFirst preparation and characterization of the elusive copper (III) intermediate in organocuprate chemistry
Craig A. Ogle, Brad J. Taylor, Michael D. Murphy, Steven H. Bertz
9:00 AMAromatic vs. acyclic dienyl propargyldicobalt cations: Preparation and comparative reactivity
James R. Green, Sheida Amiralaei
9:20 AMThe effect of steric bulk on Pd(0)-catalyzed C-H bond activation: Perspectives from an extended Activation Strain model
Joost NP van Stralen, A. Patrícia Bento
9:40 AMAlkynes as ligands, substrates and intermediates in palladium catalysis
Mårten Ahlquist, Per Ola Norrby
10:00 AMα-Stabilization of carbanions: Fluorine outperforms the heavier halogens
A. Patrícia Bento, Gernot Boche, Holger L. Hermann
10:20 AMNonexistance of hydrogen-hydrogen bonding in planar biphenyl and the failure of Atoms-In-Molecules (AIM) theory
Jordi Poater, Miquel Solà, A. Patrícia Bento
10:40 AMQuantitative description of aggregation-induced emission from p-conjugated system
Ping Lu, Zixing Wang
11:00 AMStudy of the reaction of aziridine and its derivatives with ammonia: The profound influence of fluorine substituents
Harold D. Banks
11:20 AMNucleophilic attack of hydroxide on formamide in aqueous solution: Mechanistic insights from ab initio metadynamics calculations
Jochen Blumberger, Bernd Ensing, Michael L. Klein
Paper Withdrawn

Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry, and High-Energy Species -- Next Session

Symposium Grid -- Division of Organic Chemistry -- Session Listing

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006