title: Vibrational spectroscopy of hydroxy-heterobiaryls. IR-active modes of [2,2'-bipyridyl]-3,3'-diol.
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.
authors.affiliation: Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
authors.forename: Pawel
authors.initials: P
authors.lastname: Borowicz
authors.forename: Andrzej
authors.initials: A
authors.lastname: Leś
authors.forename: Ludwik
authors.initials: L
authors.lastname: Adamowicz
authors.forename: Jacek
authors.initials: J
authors.lastname: Waluk
mesh_terms: 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
chemical_list: C499984:(2,2'-bipyridyl)-3,3'-diol; D001643:Bridged Bicyclo Compounds; D015082:2,2'-Dipyridyl