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
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
Journal title :
Synthetic Metals
