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Supramolecular stereoelectronic effect in hemiketals

Maria Vyacheslavovna Panova 1
Maria Vyacheslavovna Panova
,  , 
Ivan Sergeevich Bushmarinov 2
Ivan Sergeevich Bushmarinov
, 
Ivan Vyacheslavovich Ananyev 2
Ivan Vyacheslavovich Ananyev
, 
Konstantin Alexandrovich Lyssenko 2
Konstantin Alexandrovich Lyssenko
10.1016/j.mencom.2017.11.019
Published 2017-10-30
Communication , Volume 27, Issue 6, 595-598
3
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Panova M. V. et al. Supramolecular stereoelectronic effect in hemiketals // Mendeleev Communications. 2017. Vol. 27. No. 6. pp. 595-598.
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Panova M. V., Medvedev M. G., Bushmarinov I. S., Ananyev I. V., Lyssenko K. A. Supramolecular stereoelectronic effect in hemiketals // Mendeleev Communications. 2017. Vol. 27. No. 6. pp. 595-598.
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TY - JOUR
DO - 10.1016/j.mencom.2017.11.019
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.019
TI - Supramolecular stereoelectronic effect in hemiketals
T2 - Mendeleev Communications
AU - Panova, Maria Vyacheslavovna
AU - Medvedev, Michael G
AU - Bushmarinov, Ivan Sergeevich
AU - Ananyev, Ivan Vyacheslavovich
AU - Lyssenko, Konstantin Alexandrovich
PY - 2017
DA - 2017/10/30
PB - Mendeleev Communications
SP - 595-598
IS - 6
VL - 27
ER -
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@article{2017_Panova,
author = {Maria Vyacheslavovna Panova and Michael G Medvedev and Ivan Sergeevich Bushmarinov and Ivan Vyacheslavovich Ananyev and Konstantin Alexandrovich Lyssenko},
title = {Supramolecular stereoelectronic effect in hemiketals},
journal = {Mendeleev Communications},
year = {2017},
volume = {27},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.019},
number = {6},
pages = {595--598},
doi = {10.1016/j.mencom.2017.11.019}
}
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Panova, Maria Vyacheslavovna, et al. “Supramolecular stereoelectronic effect in hemiketals.” Mendeleev Communications, vol. 27, no. 6, Oct. 2017, pp. 595-598. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.11.019.

Abstract

Hemiketals are important targets for crystal prediction and molecular modeling. The supramolecular stereoelectronic effect (SSE) recently found in carboxylic acid associates occurs in hemiketals: the presence and nature of an H-bond acceptor affect the conformational preference of hemiketals. To provide a structural basis for the multitude of biological roles played by hemiketal-containing structures, it is important to accurately model their spatial and dynamic properties, so the SSE in hemiketals should be explicitly implemented in future force fields.

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