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Specificity of internal rotation in aldehydes with three-membered rings

Vadim Al'bertovich Bataev 1
Vadim Al'bertovich Bataev
, 
Sergey Sergeyevich Styopin 1
Sergey Sergeyevich Styopin
1 Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
10.1016/j.mencom.2023.04.037
Published 2023-04-13
Communication , Volume 33, Issue 3, 416-418
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Bataev V. A., Styopin S. S. Specificity of internal rotation in aldehydes with three-membered rings // Mendeleev Communications. 2023. Vol. 33. No. 3. pp. 416-418.
GOST all authors (up to 50) Copy
Bataev V. A., Styopin S. S. Specificity of internal rotation in aldehydes with three-membered rings // Mendeleev Communications. 2023. Vol. 33. No. 3. pp. 416-418.
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TY - JOUR
DO - 10.1016/j.mencom.2023.04.037
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.037
TI - Specificity of internal rotation in aldehydes with three-membered rings
T2 - Mendeleev Communications
AU - Bataev, Vadim Al'bertovich
AU - Styopin, Sergey Sergeyevich
PY - 2023
DA - 2023/04/13
PB - Mendeleev Communications
SP - 416-418
IS - 3
VL - 33
ER -
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@article{2023_Bataev,
author = {Vadim Al'bertovich Bataev and Sergey Sergeyevich Styopin},
title = {Specificity of internal rotation in aldehydes with three-membered rings},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.037},
number = {3},
pages = {416--418},
doi = {10.1016/j.mencom.2023.04.037}
}
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Bataev, Vadim Al'bertovich, and Sergey Sergeyevich Styopin. “Specificity of internal rotation in aldehydes with three-membered rings.” Mendeleev Communications, vol. 33, no. 3, Apr. 2023, pp. 416-418. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.037.

Keywords

aldehydes
anharmonic vibrations
internal rotation
kinematic interaction.
three-membered rings

Abstract

The results of anharmonic calculations of low-frequency vibrations of aldehyde molecules containing a three-membered cycle with a π-bond are presented. The theoretical exploration of the conformational behavior and geometrical structure of two related molecules is carried out and potential energy surface sections along the coordinates of internal rotation and non-planar vibration close in frequency are constructed and analyzed. The possibility of kinematic coupling of these two vibrations and the complexity of their forms are especially considered.

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