Vibrational spectroscopy of hydroxy-heterobiaryls. IR-active modes of [2,2'-bipyridyl]-3,3'-diol.
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.
Borowicz
Pawel
P
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
Leś
Andrzej
A
Adamowicz
Ludwik
L
Waluk
Jacek
J
D015082:2,2'-Dipyridyl / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry*; D001643:Bridged Bicyclo Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D010777:Photochemistry; D013055:Spectrophotometry, Infrared / Q000379:methods*; D014732:Vibration
C499984:(2,2'-bipyridyl)-3,3'-diol; D001643:Bridged Bicyclo Compounds; D015082:2,2'-Dipyridyl