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Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides

Yuly Abramovich Kolbanovskii 1
Yuly Abramovich Kolbanovskii
, 
Yurii Andreevich Borisov 2
Yurii Andreevich Borisov
10.1016/j.mencom.2011.11.003
Published 2011-11-10
Communication , Volume 21, Issue 6, 305-306
4
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Kolbanovskii Y. A., Borisov Y. A. Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides // Mendeleev Communications. 2011. Vol. 21. No. 6. pp. 305-306.
GOST all authors (up to 50) Copy
Kolbanovskii Y. A., Borisov Y. A. Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides // Mendeleev Communications. 2011. Vol. 21. No. 6. pp. 305-306.
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TY - JOUR
DO - 10.1016/j.mencom.2011.11.003
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2011.11.003
TI - Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides
T2 - Mendeleev Communications
AU - Kolbanovskii, Yuly Abramovich
AU - Borisov, Yurii Andreevich
PY - 2011
DA - 2011/11/10
PB - Mendeleev Communications
SP - 305-306
IS - 6
VL - 21
ER -
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@article{2011_Kolbanovskii,
author = {Yuly Abramovich Kolbanovskii and Yurii Andreevich Borisov},
title = {Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides},
journal = {Mendeleev Communications},
year = {2011},
volume = {21},
publisher = {Mendeleev Communications},
month = {Nov},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2011.11.003},
number = {6},
pages = {305--306},
doi = {10.1016/j.mencom.2011.11.003}
}
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Kolbanovskii, Yuly Abramovich, and Yurii Andreevich Borisov. “Ab initio MP2 study of the reaction mechanisms of C2 with halogens and hydrohalides.” Mendeleev Communications, vol. 21, no. 6, Nov. 2011, pp. 305-306. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2011.11.003.

Abstract

The ab initio MP2 method was used to calculate the activation energy of vinylidene and its derivatives formation, and their decisive role in the detailed mechanism of C2 (X1Σ+G) reactions with halogen and hydrohalide molecules was shown.

References

1.
Energii razryva khimicheskikh svyazei. Potentsialy ionizatsii i srodstvo k elektronu (Energy of Chemical Bonds. Ionization Potentials and Electron Affinity), ed. V. N. Kondrat’ev, Nauka, Moscow, 1974.(in Russian).
2.
Renner-teller effect at the initial acetylene thermal transformation stages
Bilera I.V., Borisov Y.A., Buravtsev N.N., Kolbanovskii Y.A.
Russian Journal of Physical Chemistry B, 2007