The effect of terminal substituents on the electronic properties of rod-shaped [HGaNH]n oligomers
Author:
Affiliation:
1. Inorganic Chemistry Group
2. Institute of Chemistry
3. St. Petersburg State University
4. Universitetskaya nab. 7/9
5. St. Petersburg
Abstract
The effect of electron-donating and electron-withdrawing terminal groups on the electronic structure of the rod-shaped X3[HGaNH]nY3 or needle-shaped XGa[HGaNH]nNY oligomers (X, Y = H, CH3, F, CF3; n = 9, 30 and 114) was computationally studied at the B3LYP/SVP level of density functional theory.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02576E
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