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Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond

Victor Petrovich Zelenov 1
Victor Petrovich Zelenov
, 
Dmitry Victorovich Khakimov 1
Dmitry Victorovich Khakimov
, 
Ivan Aleksandrovich Troyan 2
Ivan Aleksandrovich Troyan
, 
Evgeny Nikiforovich Khodot 1
Evgeny Nikiforovich Khodot
, 
Irina Rudol'fovna Subbotina 1
Irina Rudol'fovna Subbotina
10.1016/j.mencom.2018.11.026
Published 2018-11-01
Communication , Volume 28, Issue 6, 641-643
3
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Zelenov V. P. et al. Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond // Mendeleev Communications. 2018. Vol. 28. No. 6. pp. 641-643.
GOST all authors (up to 50) Copy
Zelenov V. P., Khakimov D. V., Troyan I. A., Khodot E. N., Subbotina I. R. Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond // Mendeleev Communications. 2018. Vol. 28. No. 6. pp. 641-643.
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TY - JOUR
DO - 10.1016/j.mencom.2018.11.026
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.11.026
TI - Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond
T2 - Mendeleev Communications
AU - Zelenov, Victor Petrovich
AU - Khakimov, Dmitry Victorovich
AU - Troyan, Ivan Aleksandrovich
AU - Khodot, Evgeny Nikiforovich
AU - Subbotina, Irina Rudol'fovna
PY - 2018
DA - 2018/11/01
PB - Mendeleev Communications
SP - 641-643
IS - 6
VL - 28
ER -
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@article{2018_Zelenov,
author = {Victor Petrovich Zelenov and Dmitry Victorovich Khakimov and Ivan Aleksandrovich Troyan and Evgeny Nikiforovich Khodot and Irina Rudol'fovna Subbotina},
title = {Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond},
journal = {Mendeleev Communications},
year = {2018},
volume = {28},
publisher = {Mendeleev Communications},
month = {Nov},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.11.026},
number = {6},
pages = {641--643},
doi = {10.1016/j.mencom.2018.11.026}
}
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Zelenov, Victor Petrovich, et al. “Electron-withdrawing effect of α-substituents in acyl nitrates on the polarization of the O-NO2 bond.” Mendeleev Communications, vol. 28, no. 6, Nov. 2018, pp. 641-643. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.11.026.
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Abstract

Regularities in the Raman (\( \mathrm{v_{NO_2}^s} \)) and 14NMR spectra of acetyl nitrates containing various electron-withdrawing α-substituents were established by quantum chemical calculations. The experimental data on (poly)-α-haloacetyl nitrates (in solutions) revealed no reliable relationship between the halogen nature/number and the spectral characteristics, whereas the computed values of δN and O-NO2 bond lengths disclose the substituent effect on the polarization of O-N bond and hence on the nitrating power of acyl nitrates.

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