Title of article
Theoretical analysis of 2,6-dialkyl-substituted aniline trimers
Author/Authors
Sein Jr.، نويسنده , , Lawrence T and Duong، نويسنده , , Thanh and Wei، نويسنده , , Yen and Jansen، نويسنده , , Susan A، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2000
Pages
5
From page
145
To page
149
Abstract
DFT calculations on emeraldine trimers are used to clarify the conformation and electronic effects of 2,6-dialkyl-substitution. Such calculations are compared to results of UV–Vis spectroscopy. An intriguing diminishment of band gap on interconversion from the syn to the anti form is discovered.
Keywords
Aniline trimers , DFT , Polyaniline
Journal title
Synthetic Metals
Serial Year
2000
Journal title
Synthetic Metals
Record number
2073743
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