Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy
T P Gerasimova
1
,
A V Shamsieva
1
,
I D Strelnik
1
,
S A Katsyuba
1
,
E I Musina
1
,
A A Karasik
1
,
Publication type: Journal Article
Publication date: 2020-03-01
scimago Q3
SJR: 0.305
CiteScore: 2.8
Impact factor: —
ISSN: 10665285, 15739171
General Chemistry
Abstract
The steric and electronic structures of 1,3-diaza-5-phoaphacyclohexane with the pyridyl substituent at the phosphorus atom and a series of model 1,3-diaza-5-phosphacyclohexanes (potential ligands for the synthesis of luminescent transition metal complexes) were studied using IR and UV spectroscopy combined with quantum chemical calculations. Relationships between the electronic structures, spectral characteristics, and donor—acceptor properties of the substituents were revealed. The relationships can further be used for the target synthesis of complexes with specified optical properties.
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Gerasimova T. P. et al. Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy // Russian Chemical Bulletin. 2020. Vol. 69. No. 3. pp. 449-457.
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Gerasimova T. P., Shamsieva A. V., Strelnik I. D., Katsyuba S. A., Musina E. I., Karasik A. A., Sinyashin O. G. Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy // Russian Chemical Bulletin. 2020. Vol. 69. No. 3. pp. 449-457.
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TY - JOUR
DO - 10.1007/s11172-020-2783-x
UR - https://doi.org/10.1007/s11172-020-2783-x
TI - Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy
T2 - Russian Chemical Bulletin
AU - Gerasimova, T P
AU - Shamsieva, A V
AU - Strelnik, I D
AU - Katsyuba, S A
AU - Musina, E I
AU - Karasik, A A
AU - Sinyashin, O G
PY - 2020
DA - 2020/03/01
PB - Springer Nature
SP - 449-457
IS - 3
VL - 69
SN - 1066-5285
SN - 1573-9171
ER -
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BibTex (up to 50 authors)
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@article{2020_Gerasimova,
author = {T P Gerasimova and A V Shamsieva and I D Strelnik and S A Katsyuba and E I Musina and A A Karasik and O G Sinyashin},
title = {Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy},
journal = {Russian Chemical Bulletin},
year = {2020},
volume = {69},
publisher = {Springer Nature},
month = {mar},
url = {https://doi.org/10.1007/s11172-020-2783-x},
number = {3},
pages = {449--457},
doi = {10.1007/s11172-020-2783-x}
}
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MLA
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Gerasimova, T. P., et al. “Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy.” Russian Chemical Bulletin, vol. 69, no. 3, Mar. 2020, pp. 449-457. https://doi.org/10.1007/s11172-020-2783-x.