title: The significance of the temporal bond polarizabilty relaxation of 2- and 3-aminopyridine by 514.5 nm excitation for the nonresonant Raman virtual states.
abstract: Our algorithm [B. Tian, G. Wu, G. Liu, J. Chem. Phys. 87 (1987) 7300] is introduced to obtain the temporal bond polarizabilities of 2- and 3-aminopyridine from their Raman intensities, which supply fruitful electronic information of the nonresonant Raman excited virtual states. The study shows that the excited charges tend to flow to the molecular periphery due to electronic repulsion and most of their relaxations show a single exponential decaying behavior, though some are exceptional. The characteristic times corresponding to the relaxations of the peripheral C-H and branching C-N bond polarizabilities are, in general, shorter than those of the skeletal C-C/C-N bonds. There is also evidence that only electrons from part of the occupied MO's are excited and contribute to the Raman excited virtual states.
authors.affiliation: Molecular and Nano Sciences Laboratory, Department of Physics, Tsinghua University, Beijing 100084, China.
authors.forename: Chao
authors.initials: C
authors.lastname: Fang
authors.forename: Guozhen
authors.initials: G
authors.lastname: Wu
mesh_terms: D000465:Algorithms; D000631:Aminopyridines / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry; D004563:Electrochemistry / Q000379:methods; D004583:Electrons; D006859:Hydrogen / Q000737:chemistry; D008956:Models, Chemical; D015233:Models, Statistical; D009584:Nitrogen / Q000737:chemistry; D013059:Spectrum Analysis, Raman / Q000379:methods*; D013997:Time Factors
chemical_list: D000631:Aminopyridines; C031283:3-aminopyridine; D002244:Carbon; D006859:Hydrogen; D009584:Nitrogen; C032439:alpha-aminopyridine