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Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study

Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
, 
Tatyana N Gribanova 1
Tatyana N Gribanova
, 
Andrey Georgievich Starikov 1
Andrey Georgievich Starikov
10.1070/MC2001v011n04ABEH001475
Published 2001-08-01
Communication , Volume 11, Issue 4, 132-134
7
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Minyaev R. M. et al. Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study // Mendeleev Communications. 2001. Vol. 11. No. 4. pp. 132-134.
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Minyaev R. M., Minkin V. I., Gribanova T. N., Starikov A. G. Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study // Mendeleev Communications. 2001. Vol. 11. No. 4. pp. 132-134.
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TY - JOUR
DO - 10.1070/MC2001v011n04ABEH001475
UR - https://mendcomm.colab.ws/publications/10.1070/MC2001v011n04ABEH001475
TI - Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study
T2 - Mendeleev Communications
AU - Minyaev, Ruslan Mikhailovich
AU - Minkin, Vladimir Isaakovich
AU - Gribanova, Tatyana N
AU - Starikov, Andrey Georgievich
PY - 2001
DA - 2001/08/01
PB - Mendeleev Communications
SP - 132-134
IS - 4
VL - 11
ER -
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@article{2001_Minyaev,
author = {Ruslan Mikhailovich Minyaev and Vladimir Isaakovich Minkin and Tatyana N Gribanova and Andrey Georgievich Starikov},
title = {Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study},
journal = {Mendeleev Communications},
year = {2001},
volume = {11},
publisher = {Mendeleev Communications},
month = {Aug},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2001v011n04ABEH001475},
number = {4},
pages = {132--134},
doi = {10.1070/MC2001v011n04ABEH001475}
}
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Minyaev, Ruslan Mikhailovich, et al. “Low-energy barrier B4 ring puckering rearrangement of 1,6-diaza-closo-hexaborane: an ab initio study.” Mendeleev Communications, vol. 11, no. 4, Aug. 2001, pp. 132-134. https://mendcomm.colab.ws/publications/10.1070/MC2001v011n04ABEH001475.

Abstract

The ab initio [MP2(fu)/6-311+G**] and DFT (B3LYP/6-311+G**) calculations predict stable structures of closo-diazaboranes 1,6-N2B4H4 and 1,2-N2B4H4, with the low-energy barrier B4 ring puckering rearrangement occurring in the 1,6-N2B4H4 stable structure.

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