Abstract
All observed IR-active vibrational modes of [2,2′-bipyridyl]-3,3′-diol (BP(OH)2) and its two isotopomers, BP(OD)2 and BP(OH)2-d6 have been assigned on the basis of the comparison of experimental results with predictions obtained from DFT (B3LYP/6-31G(d, p)) calculations. The sensitivity of the vibrational transitions to the environment has been studied by comparing the spectra recorded in vapour, different solutions, KBr pellets, and cryogenic argon matrices. The results may be useful for the quantum control of excited state single or double proton transfer in BP(OH)2.
Original language | English (US) |
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Pages (from-to) | 143-148 |
Number of pages | 6 |
Journal | Photochemical and Photobiological Sciences |
Volume | 4 |
Issue number | 1 |
DOIs | |
State | Published - Dec 22 2005 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry