(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies
Тип публикации: Journal Article
Дата публикации: 2020-01-16
scimago Q2
wos Q2
БС1
SJR: 0.520
CiteScore: 5.2
Impact factor: 2.6
ISSN: 14668033
General Chemistry
Condensed Matter Physics
General Materials Science
Краткое описание
Inspection of the X-ray structure of the newly prepared trans-[PdCl(CNXyl)ADC] (ADC = XylNH–N–[5-iodo-2,6-dimethylpyrimidin-4-yl]) complex made it possible to identify for the first time the π-hole interaction involving the nitrogen atom of a coordinated isocyano group with a lone pair. Processing of available CSD data and results of DFT calculations revealed the possibility of two different sites for π-hole interaction involving isocyanides, i.e. both isocyano carbon and nitrogen centers are capable of acting as the π-hole donor toward lone pairs.
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Mikherdov A. et al. (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies // CrystEngComm. 2020. Vol. 22. No. 7. pp. 1154-1159.
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Mikherdov A., Katkova S. A., Novikov A. S., Efremova M. M., Reutskaya E. Yu., Kinzhalov M. A. (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies // CrystEngComm. 2020. Vol. 22. No. 7. pp. 1154-1159.
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TY - JOUR
DO - 10.1039/C9CE01741K
UR - https://xlink.rsc.org/?DOI=C9CE01741K
TI - (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies
T2 - CrystEngComm
AU - Mikherdov, Alexander
AU - Katkova, Svetlana A
AU - Novikov, Alexander S.
AU - Efremova, Mariia M
AU - Reutskaya, Elena Yu
AU - Kinzhalov, M. A.
PY - 2020
DA - 2020/01/16
PB - Royal Society of Chemistry (RSC)
SP - 1154-1159
IS - 7
VL - 22
SN - 1466-8033
ER -
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@article{2020_Mikherdov,
author = {Alexander Mikherdov and Svetlana A Katkova and Alexander S. Novikov and Mariia M Efremova and Elena Yu Reutskaya and M. A. Kinzhalov},
title = {(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies},
journal = {CrystEngComm},
year = {2020},
volume = {22},
publisher = {Royal Society of Chemistry (RSC)},
month = {jan},
url = {https://xlink.rsc.org/?DOI=C9CE01741K},
number = {7},
pages = {1154--1159},
doi = {10.1039/C9CE01741K}
}
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MLA
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Mikherdov, Alexander, et al. “(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies.” CrystEngComm, vol. 22, no. 7, Jan. 2020, pp. 1154-1159. https://xlink.rsc.org/?DOI=C9CE01741K.
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