Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines
Publication type: Journal Article
Publication date: 2016-09-01
scimago Q4
wos Q4
SJR: 0.243
CiteScore: 2.7
Impact factor: 1.0
ISSN: 00093122, 15738353
Organic Chemistry
Abstract
The detailed mechanism of thermal ring opening reactions of 2H-pyran and 2H-1,4-oxazine systems in a broad range of spiropyran and spiro-1,4-oxazine derivatives was studied by density functional methods (PBE0/6-311+G(d,p)). The study revealed mechanistic features and the dependence of activation parameters of this electrocyclic reaction on the steric and electronic properties of spiroconjugated fragments of the studied compounds.
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Dorogan I. V., Minkin V. I. Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines // Chemistry of Heterocyclic Compounds. 2016. Vol. 52. No. 9. pp. 730-735.
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Dorogan I. V., Minkin V. I. Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines // Chemistry of Heterocyclic Compounds. 2016. Vol. 52. No. 9. pp. 730-735.
Cite this
RIS
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TY - JOUR
DO - 10.1007/s10593-016-1956-x
UR - https://doi.org/10.1007/s10593-016-1956-x
TI - Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines
T2 - Chemistry of Heterocyclic Compounds
AU - Dorogan, Igor V
AU - Minkin, Vladimir I.
PY - 2016
DA - 2016/09/01
PB - Springer Nature
SP - 730-735
IS - 9
VL - 52
SN - 0009-3122
SN - 1573-8353
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2016_Dorogan,
author = {Igor V Dorogan and Vladimir I. Minkin},
title = {Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines},
journal = {Chemistry of Heterocyclic Compounds},
year = {2016},
volume = {52},
publisher = {Springer Nature},
month = {sep},
url = {https://doi.org/10.1007/s10593-016-1956-x},
number = {9},
pages = {730--735},
doi = {10.1007/s10593-016-1956-x}
}
Cite this
MLA
Copy
Dorogan, Igor V., and Vladimir I. Minkin. “Theoretical modeling of electrocyclic 2H-pyran and 2H-1,4-oxazine ring opening reactions in photo- and thermochromic spiropyrans and spirooxazines.” Chemistry of Heterocyclic Compounds, vol. 52, no. 9, Sep. 2016, pp. 730-735. https://doi.org/10.1007/s10593-016-1956-x.