Springer Nature
Structural Chemistry
,  volume 31 ,  issue 5 ,  pages 1927-1933

Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study

Publication type: Journal Article
Publication date: 2020-07-09
Springer Nature
scimago Q3
wos Q2
SJR: 0.341
CiteScore: 4.3
Impact factor: 2.2
ISSN: 10400400, 15729001
Physical and Theoretical Chemistry
Condensed Matter Physics
Abstract
In this paper, an approach is proposed for determining the ratio of prototropic annular tautomers of organosilicon 1,2,3-triazoles, which are hardly experimentally determined in solution by NMR technique. The comparison of experimental and calculated (at the CCSD level) NMR chemical shifts allows the predominant tautomer in the equilibrium mixture to be determined.
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Semenov V. A., Larina L. I., Demina M. M. Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study // Structural Chemistry. 2020. Vol. 31. No. 5. pp. 1927-1933.
GOST all authors (up to 50) Copy
Semenov V. A., Larina L. I., Demina M. M. Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study // Structural Chemistry. 2020. Vol. 31. No. 5. pp. 1927-1933.
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RIS Copy
TY - JOUR
DO - 10.1007/s11224-020-01570-4
UR - https://doi.org/10.1007/s11224-020-01570-4
TI - Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study
T2 - Structural Chemistry
AU - Semenov, Valentin A
AU - Larina, Lyudmila I
AU - Demina, Maria M
PY - 2020
DA - 2020/07/09
PB - Springer Nature
SP - 1927-1933
IS - 5
VL - 31
SN - 1040-0400
SN - 1572-9001
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2020_Semenov,
author = {Valentin A Semenov and Lyudmila I Larina and Maria M Demina},
title = {Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study},
journal = {Structural Chemistry},
year = {2020},
volume = {31},
publisher = {Springer Nature},
month = {jul},
url = {https://doi.org/10.1007/s11224-020-01570-4},
number = {5},
pages = {1927--1933},
doi = {10.1007/s11224-020-01570-4}
}
MLA
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MLA Copy
Semenov, Valentin A., et al. “Stereochemistry and tautomerism of silicon-containing 1,2,3-triazole: ab initio and NMR study.” Structural Chemistry, vol. 31, no. 5, Jul. 2020, pp. 1927-1933. https://doi.org/10.1007/s11224-020-01570-4.