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Effect of spin density on the photochemical stability of aromatic nitrenes

Sergei Viktorovich Chapyshev 1
Sergei Viktorovich Chapyshev
10.1070/MC2003v013n02ABEH001722
Published 2003-04-28
Communication , Volume 13, Issue 2, 53-55
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Chapyshev S. V. Effect of spin density on the photochemical stability of aromatic nitrenes // Mendeleev Communications. 2003. Vol. 13. No. 2. pp. 53-55.
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Chapyshev S. V. Effect of spin density on the photochemical stability of aromatic nitrenes // Mendeleev Communications. 2003. Vol. 13. No. 2. pp. 53-55.
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TY - JOUR
DO - 10.1070/MC2003v013n02ABEH001722
UR - https://mendcomm.colab.ws/publications/10.1070/MC2003v013n02ABEH001722
TI - Effect of spin density on the photochemical stability of aromatic nitrenes
T2 - Mendeleev Communications
AU - Chapyshev, Sergei Viktorovich
PY - 2003
DA - 2003/04/28
PB - Mendeleev Communications
SP - 53-55
IS - 2
VL - 13
ER -
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@article{2003_Chapyshev,
author = {Sergei Viktorovich Chapyshev},
title = {Effect of spin density on the photochemical stability of aromatic nitrenes},
journal = {Mendeleev Communications},
year = {2003},
volume = {13},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2003v013n02ABEH001722},
number = {2},
pages = {53--55},
doi = {10.1070/MC2003v013n02ABEH001722}
}
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Chapyshev, Sergei Viktorovich. “Effect of spin density on the photochemical stability of aromatic nitrenes.” Mendeleev Communications, vol. 13, no. 2, Apr. 2003, pp. 53-55. https://mendcomm.colab.ws/publications/10.1070/MC2003v013n02ABEH001722.

Abstract

FTIR studies and UB3LYP/6-31G* calculations showed that triplet nitreno-1,3,5-triazines with zero-field splitting D-parameters of |D/hc| > 1.40 cm–1 and spin populations on the nitrene centres of ρN > 1.77 are photochemically very stable and do not rearrange into ring-expanded products on photolysis in cryogenic matrices.

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