Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5415140 | Journal of Molecular Spectroscopy | 2010 | 5 Pages |
Abstract
The electronic and geometric structures of the cluster consisting of 3-aminophenol (3AP) and one ammonia molecule were investigated using resonance-enhanced multiphoton ionization and IR-UV double resonance spectroscopy in the gas phase. Between the cis and trans isomers found for the bare 3AP molecule, only trans isomer was found for 3AP·(NH3)1. It was found that complete quenching of the excited state of cis isomer, e.g. by conformer-specific excited state hydrogen transfer reaction, does not seem to occur, but that efficient conformational cooling drives the ground state population into the most stable trans isomer. The 0-0 band of the trans-3AP·(NH3)1 at 34 409 cmâ1 is red-shifted by 68 cmâ1 from that of the trans-3AP at 34 477 cmâ1. The IR depletion spectrum shows that the OH stretching vibration (3296 cmâ1) is red-shifted by 362 cmâ1 from that of the bare molecule. The large red-shift in OH frequency, combined with MP2 calculation, reveals that the structure of the cluster is the one with the nitrogen atom of ammonia bound to the hydroxyl hydrogen of aminophenol.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Minho Kim, Sang-Su Kim, Hyuk Kang, Young Dong Park,