Chemical Physics Letters, volume 536, pages 68-71

The structure and photochemical transformation of cyclopropylacetylene radical cation as revealed by matrix EPR and quantum chemical study

Publication typeJournal Article
Publication date2012-05-01
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor2.8
ISSN00092614
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Abstract The primary radical cation of cyclopropylacetylene was first characterized by EPR spectroscopy in low-temperature freon matrices. The assignment was confirmed by specific deuteration and quantum-chemical calculations at PBE0 and CCSD(T) levels. Photolysis with visible light led to irreversible transformation of the initial species to a ring-open structure. Detailed computational analysis of energy and magnetic resonance parameters of possible reaction products justified formation of pent-3-en-1-yne radical cation (presumably, a (Z)-isomer). This conclusion was also supported by the effect of specific deuteration.
Metrics
Share
Cite this
GOST |
Cite this
GOST Copy
Shiryaeva E. S. et al. The structure and photochemical transformation of cyclopropylacetylene radical cation as revealed by matrix EPR and quantum chemical study // Chemical Physics Letters. 2012. Vol. 536. pp. 68-71.
GOST all authors (up to 50) Copy
Shiryaeva E. S., Tyurin D. A., Feldman V. I., Feldman V. I. The structure and photochemical transformation of cyclopropylacetylene radical cation as revealed by matrix EPR and quantum chemical study // Chemical Physics Letters. 2012. Vol. 536. pp. 68-71.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.cplett.2012.03.096
UR - https://doi.org/10.1016%2Fj.cplett.2012.03.096
TI - The structure and photochemical transformation of cyclopropylacetylene radical cation as revealed by matrix EPR and quantum chemical study
T2 - Chemical Physics Letters
AU - Shiryaeva, Ekaterina S
AU - Tyurin, Daniil A
AU - Feldman, Vladimir I
AU - Feldman, Vladimir I.
PY - 2012
DA - 2012/05/01 00:00:00
PB - Elsevier
SP - 68-71
VL - 536
SN - 0009-2614
ER -
BibTex
Cite this
BibTex Copy
@article{2012_Shiryaeva
author = {Ekaterina S Shiryaeva and Daniil A Tyurin and Vladimir I Feldman and Vladimir I. Feldman},
title = {The structure and photochemical transformation of cyclopropylacetylene radical cation as revealed by matrix EPR and quantum chemical study},
journal = {Chemical Physics Letters},
year = {2012},
volume = {536},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016%2Fj.cplett.2012.03.096},
pages = {68--71},
doi = {10.1016/j.cplett.2012.03.096}
}
Found error?