TY - JOUR
T1 - 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′] trithiophene
T2 - A twisted heteroarene
AU - Wu, Yao-Ting
AU - Tai, Chia Cheng
AU - Lin, Wei Chih
AU - Baldridge, Kim K.
PY - 2009/6/26
Y1 - 2009/6/26
N2 - 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c″]trithiophene (C-Me) was prepared by palladium-catalyzed methylations of the corresponding hexabromide C-Br. The twisted structure of C-Me has been confirmed by X-ray crystal analysis. The physical properties of twisted C-Me and planar benzo[1,2-c:3,4-c′:5,6-c″]trithiophene (C-H) were studied and compared. Crystal structures are compared to computational structures determined using density functional theory, with both the M06-2X and B3PW91 functionals.
AB - 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c″]trithiophene (C-Me) was prepared by palladium-catalyzed methylations of the corresponding hexabromide C-Br. The twisted structure of C-Me has been confirmed by X-ray crystal analysis. The physical properties of twisted C-Me and planar benzo[1,2-c:3,4-c′:5,6-c″]trithiophene (C-H) were studied and compared. Crystal structures are compared to computational structures determined using density functional theory, with both the M06-2X and B3PW91 functionals.
UR - http://www.scopus.com/inward/record.url?scp=67649124919&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=67649124919&partnerID=8YFLogxK
U2 - 10.1039/b902517k
DO - 10.1039/b902517k
M3 - Article
C2 - 19532991
AN - SCOPUS:67649124919
SN - 1477-0520
VL - 7
SP - 2748
EP - 2755
JO - Organic and Biomolecular Chemistry
JF - Organic and Biomolecular Chemistry
IS - 13
ER -