Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids
Publication type: Journal Article
Publication date: 2011-05-01
scimago Q3
wos Q4
SJR: 0.270
CiteScore: 3.0
Impact factor: 1.5
ISSN: 00360236, 15318613
Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Science (miscellaneous)
Abstract
The geometric parameters and energies of the products of donor-acceptor interaction of dipyrrolylmethenes with BF3 and other inorganic Lewis acids were calculated by quantum-chemical methods. The bond nature and the energies of formation of the donor-acceptor complexes under consideration were analyzed. It was shown that the complexes with p-element fluorides are noticeably stabilized by hydrogen bonds involving the hydrogen atom of the NH group of dipyrrolylmethene and the nearest fluorine atom of a Lewis acid. Hydrogen bonding promotes further elimination of HF in the synthesis of boron fluoride complexes of dipyrrolylmethenes. The energy profile was calculated for the reaction of formation of the boron fluoride complex with dipyrrolylmethene through the intermediate donor-acceptor complex.
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Marfin Yu. S., Rumyantsev E. V., Antina E. V. Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids // Russian Journal of Inorganic Chemistry. 2011. Vol. 56. No. 5. pp. 749-754.
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Marfin Yu. S., Rumyantsev E. V., Antina E. V. Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids // Russian Journal of Inorganic Chemistry. 2011. Vol. 56. No. 5. pp. 749-754.
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TY - JOUR
DO - 10.1134/S0036023611050172
UR - https://doi.org/10.1134/S0036023611050172
TI - Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids
T2 - Russian Journal of Inorganic Chemistry
AU - Marfin, Yu S
AU - Rumyantsev, E V
AU - Antina, E V
PY - 2011
DA - 2011/05/01
PB - Pleiades Publishing
SP - 749-754
IS - 5
VL - 56
SN - 0036-0236
SN - 1531-8613
ER -
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@article{2011_Marfin,
author = {Yu S Marfin and E V Rumyantsev and E V Antina},
title = {Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids},
journal = {Russian Journal of Inorganic Chemistry},
year = {2011},
volume = {56},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1134/S0036023611050172},
number = {5},
pages = {749--754},
doi = {10.1134/S0036023611050172}
}
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MLA
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Marfin, Yu. S., et al. “Quantum-chemical study of interaction of dipyrrolylmethenes with boron trifluoride and other lewis acids.” Russian Journal of Inorganic Chemistry, vol. 56, no. 5, May. 2011, pp. 749-754. https://doi.org/10.1134/S0036023611050172.
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