1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′] trithiophene: A twisted heteroarene

Yao-Ting Wu; Chia Cheng Tai; Wei Chih Lin; Kim K. Baldridge

doi:10.1039/b902517k

1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′] trithiophene: A twisted heteroarene

Yao-Ting Wu, Chia Cheng Tai, Wei Chih Lin, Kim K. Baldridge

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

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.

Original language	English
Pages (from-to)	2748-2755
Number of pages	8
Journal	Organic and Biomolecular Chemistry
Volume	7
Issue number	13
DOIs	https://doi.org/10.1039/b902517k
Publication status	Published - 2009 Jun 26

All Science Journal Classification (ASJC) codes

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry

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10.1039/b902517k

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title = "1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′] trithiophene: A twisted heteroarene",

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.",

author = "Yao-Ting Wu and Tai, {Chia Cheng} and Lin, {Wei Chih} and Baldridge, {Kim K.}",

year = "2009",

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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.

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1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′] trithiophene: A twisted heteroarene

Abstract

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