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Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study

Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
10.1070/MC2000v010n05ABEH001366
Published 2000-10-13
Communication , Volume 10, Issue 5, 173-175
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Minyaev R. M., Minkin V. I. Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study // Mendeleev Communications. 2000. Vol. 10. No. 5. pp. 173-175.
GOST all authors (up to 50) Copy
Minyaev R. M., Minkin V. I. Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study // Mendeleev Communications. 2000. Vol. 10. No. 5. pp. 173-175.
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TY - JOUR
DO - 10.1070/MC2000v010n05ABEH001366
UR - https://mendcomm.colab.ws/publications/10.1070/MC2000v010n05ABEH001366
TI - Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study
T2 - Mendeleev Communications
AU - Minyaev, Ruslan Mikhailovich
AU - Minkin, Vladimir Isaakovich
PY - 2000
DA - 2000/10/13
PB - Mendeleev Communications
SP - 173-175
IS - 5
VL - 10
ER -
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@article{2000_Minyaev,
author = {Ruslan Mikhailovich Minyaev and Vladimir Isaakovich Minkin},
title = {Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study},
journal = {Mendeleev Communications},
year = {2000},
volume = {10},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2000v010n05ABEH001366},
number = {5},
pages = {173--175},
doi = {10.1070/MC2000v010n05ABEH001366}
}
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Minyaev, Ruslan Mikhailovich, and Vladimir Isaakovich Minkin. “Inramolecular hypervalent O→Cl interaction in the chloronium cations: an ab initio study.” Mendeleev Communications, vol. 10, no. 5, Oct. 2000, pp. 173-175. https://mendcomm.colab.ws/publications/10.1070/MC2000v010n05ABEH001366.
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Abstract

The ab initio [MP2(fu)/6-31G**] and DFT (B3LYP/6-31+G**) calculations predict that the strong hypervalent O→Cl interaction stabilises the cyclic and bicyclic heteropentalene structures of chloronium cations.

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