Electronic and vibrational spectroscopy of dihydrogen bonded 2-pyridone-borane-trimethylamine complex in supersonic jets

Citation
Gn. Patwari et al., Electronic and vibrational spectroscopy of dihydrogen bonded 2-pyridone-borane-trimethylamine complex in supersonic jets, J PHYS CH A, 105(38), 2001, pp. 8642-8645
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
105
Issue
38
Year of publication
2001
Pages
8642 - 8645
Database
ISI
SICI code
1089-5639(20010927)105:38<8642:EAVSOD>2.0.ZU;2-I
Abstract
In this paper we present results of laser-induced fluorescence excitation, fluorescence detected infrared and IR-UV hole-burning spectroscopic studies on the 2-pyridone and borane-trimethylamine complex. A relatively small bl ue shift in the electronic transition accompanied by a large shift in the N -H stretching vibration to a lower frequency suggests the formation of a di hydrogen bonded complex. The structure of the complex is elucidated with th e aid of ab initio DFT calculations, which fits the observed spectral shift s.