EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide
Alexander I. Kokorin
1, 2
,
E. N. Golubeva
1, 3
,
M M Vinogradov
4
,
Yu N Kozlov
1, 2
,
G B Shulpin
1, 2
Тип публикации: Journal Article
Дата публикации: 2022-03-09
scimago Q3
wos Q4
БС3
SJR: 0.308
CiteScore: 2.2
Impact factor: 1.1
ISSN: 09379347, 16137507
Atomic and Molecular Physics, and Optics
Краткое описание
Copper complex with 1,10-phenanthroline was synthesized by a partially modified method. This complex exhibited relatively high catalytic activity in the oxidation of cyclohexanol with tert-butyl hydroperoxide. The complex was characterized by CW EPR spectroscopy (X-band) at room temperature, and results were compared with calculations carried out by the density functional theory (DFT) method. Partial comparison of the EPR and DFT results with X-ray data proves our hypothesis that the structure and spectral properties of the same copper complex in solutions and in a crystalline state may be different.
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Kokorin A. I. et al. EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide // Applied Magnetic Resonance. 2022. Vol. 53. No. 6. pp. 887-894.
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Kokorin A. I., Golubeva E. N., Vinogradov M. M., Kozlov Yu. N., Shulpin G. B. EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide // Applied Magnetic Resonance. 2022. Vol. 53. No. 6. pp. 887-894.
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TY - JOUR
DO - 10.1007/s00723-022-01467-x
UR - https://doi.org/10.1007/s00723-022-01467-x
TI - EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide
T2 - Applied Magnetic Resonance
AU - Kokorin, Alexander I.
AU - Golubeva, E. N.
AU - Vinogradov, M M
AU - Kozlov, Yu N
AU - Shulpin, G B
PY - 2022
DA - 2022/03/09
PB - Springer Nature
SP - 887-894
IS - 6
VL - 53
SN - 0937-9347
SN - 1613-7507
ER -
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@article{2022_Kokorin,
author = {Alexander I. Kokorin and E. N. Golubeva and M M Vinogradov and Yu N Kozlov and G B Shulpin},
title = {EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide},
journal = {Applied Magnetic Resonance},
year = {2022},
volume = {53},
publisher = {Springer Nature},
month = {mar},
url = {https://doi.org/10.1007/s00723-022-01467-x},
number = {6},
pages = {887--894},
doi = {10.1007/s00723-022-01467-x}
}
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Kokorin, Alexander I., et al. “EPR and DFT Study of Copper(II) Complex with 1,10-Phenanthroline as Catalyst for Oxidation of Cyclohexanol with tert-Butyl Hydroperoxide.” Applied Magnetic Resonance, vol. 53, no. 6, Mar. 2022, pp. 887-894. https://doi.org/10.1007/s00723-022-01467-x.