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Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory 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/MC2003v013n05ABEH001820
Published 2003-11-04
Communication , Volume 13, Issue 5, 207-209
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Minyaev R. M. et al. Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study // Mendeleev Communications. 2003. Vol. 13. No. 5. pp. 207-209.
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Minyaev R. M., Minkin V. I., Gribanova T. N., Starikov A. G. Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study // Mendeleev Communications. 2003. Vol. 13. No. 5. pp. 207-209.
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TY - JOUR
DO - 10.1070/MC2003v013n05ABEH001820
UR - https://mendcomm.colab.ws/publications/10.1070/MC2003v013n05ABEH001820
TI - Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study
T2 - Mendeleev Communications
AU - Minyaev, Ruslan Mikhailovich
AU - Minkin, Vladimir Isaakovich
AU - Gribanova, Tatyana N
AU - Starikov, Andrey Georgievich
PY - 2003
DA - 2003/11/04
PB - Mendeleev Communications
SP - 207-209
IS - 5
VL - 13
ER -
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@article{2003_Minyaev,
author = {Ruslan Mikhailovich Minyaev and Vladimir Isaakovich Minkin and Tatyana N Gribanova and Andrey Georgievich Starikov},
title = {Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study},
journal = {Mendeleev Communications},
year = {2003},
volume = {13},
publisher = {Mendeleev Communications},
month = {Nov},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2003v013n05ABEH001820},
number = {5},
pages = {207--209},
doi = {10.1070/MC2003v013n05ABEH001820}
}
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Minyaev, Ruslan Mikhailovich, et al. “Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole: an ab initio and density functional theory study.” Mendeleev Communications, vol. 13, no. 5, Nov. 2003, pp. 207-209. https://mendcomm.colab.ws/publications/10.1070/MC2003v013n05ABEH001820.

Abstract

Ab initio [MP2(fu)/6-311++G**] and DFT (B3LYP/6-311++G**) calculations predict that the cyclic 1:1 complexes of formic acid with pyrrole or imidazole are stabilised by non-conventional double hydrogen σ- and π-bonds.

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