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Molecular and electronic structure of substituted bithiophenes
Author(s) -
Novak I.,
Ng S. C.,
Huang H. H.,
Mok C. Y.,
Khor E.,
Kovač B.
Publication year - 1991
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610041105
Subject(s) - chemistry , molecule , electronic structure , x ray photoelectron spectroscopy , gas phase , computational chemistry , organic chemistry , nuclear magnetic resonance , physics
Several substituted bithiophenes were prepared and their electronic structure studied by photoelectron spectroscopy and semi‐empirical MO calculations. Comparison of the spectra of related molecules and analysis of calculated molecular geometries gave an indication of molecular conformations in the gas phase.