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1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c’:5,6-c’’]trithiophene: a twisted heteroacene


Wu, Y T; Tai, C C; Lin, W C; Baldridge, K K (2009). 1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c’:5,6-c’’]trithiophene: a twisted heteroacene. Organic & Biomolecular Chemistry, 7(13):2748-2755.

Abstract

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.

Abstract

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.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Language:English
Date:2009
Deposited On:08 Jan 2010 15:28
Last Modified:06 Dec 2017 22:39
Publisher:Royal Society of Chemistry
ISSN:1477-0520
Publisher DOI:https://doi.org/10.1039/b902517k

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