EventsThe 14th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-14-00398
This submission belongs to the session e. Computational Chemistry of the event The 14th International Electronic Conference on Synthetic Organic Chemistry
Published date
31 Oct, 2010
Citation
Akın Azizoglu, Cem Burak Yildiz, A Computational Study on 1-silaallene and 2-silaallene, in Proceedings of The 14th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2010, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-14-00398
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A Computational Study on 1-silaallene and 2-silaallene

Akın Azizoglu 1
Cem Burak Yildiz 2
1. Department of Chemistry, University of Balikesir, TR-10145, Balikesir, Turkey
2. Department of Chemistry, Aksaray University, TR-68100, Aksaray, Turkey
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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