A Computational Study on 1-silaallene and 2-silaallene

Akın Azizoglu; Cem Yildiz

doi:10.3390/ecsoc-14-00398

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Organo-Germylenes: Structures, Electron Affinities and Singlet-Triplet Gaps of the Ge(CH3)2, CH3GeSiH3, CH3GeGeH3, XGeCY3 (X; Y = H, F, Cl, Br) Species

A Computational Study on 1-silaallene and 2-silaallene

Akın Azizoglu

^{*

1},

Cem Burak Yildiz

¹ Department of Chemistry, University of Balikesir, TR-10145, Balikesir, Turkey
² Department of Chemistry, Aksaray University, TR-68100, Aksaray, Turkey

Published: 31 October 2010 by MDPI in The 14th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry

https://doi.org/10.3390/ecsoc-14-00398

Abstract: The structural data and vibrational frequencies of 1- and 2-silaallenes have been studied computationally using the Gaussian 03 suite of programs. All of 15 normal modes were assigned to one of six types of motion (symmetrical stretching, antisymmetrical stretching, scissoring, rocking, wagging, twisting) determined by a group of quantum chemical analysis. Predicted geometric features, vibrational frequencies, and infrared intensities are also reported herein.

Keywords: 1-silaallene; 2-silaallene; vibrational frequencies; normal modes; IR

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Cem Yildiz