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Crystal structure of 4,4′,3″,4‴‐Tetramethyl2,2′:5′,2″:5″,2‴‐tetrathiophene: A comparison with the conformation in solution
Author(s) -
Barbarella Giovanna,
Zambianchi Massimo,
Bongini Alessandro,
Antolini Luciano
Publication year - 1992
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.19920040408
Subject(s) - materials science , conjugated system , thiophene , polypyrrole , polymer , crystallography , crystal (programming language) , crystal structure , force field (fiction) , chemical physics , nanotechnology , organic chemistry , composite material , chemistry , computer science , polymerization , programming language , artificial intelligence
Are thiophene rings and chains more easily deformed than those in polyphenylene, polyfuran and polypyrrole? The conformation has great influence on the conjugation lenght of the polymers and therefore on their optical and electronic properites. Data obtained from an extremely rare X‐ray structure determination of an α, α'‐conjugated oligothiophene is comapared with that obtained from solution studies and both are discussed in light of MMP2 force‐field calculations.