Study of the structures and photophysical properties of 1,3-diaza-5-phosphacyclohexanes using density functional theory and optical spectroscopy

Autor:	Igor D. Strelnik, Aliia V. Shamsieva, S. A. Katsyuba, Elvira I. Musina, T. P. Gerasimova, Oleg G. Sinyashin, Andrey A. Karasik
Rok vydání:	2020
Předmět:	Quantum chemical Steric effects chemistry.chemical_compound Ultraviolet visible spectroscopy Transition metal Chemistry Substituent Physical chemistry Density functional theory General Chemistry Spectroscopy Luminescence
Zdroj:	Russian Chemical Bulletin. 69:449-457
ISSN:	1573-9171 1066-5285
DOI:	10.1007/s11172-020-2783-x
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4f1826f42c8d18f1e16b043f6618b3f7 https://doi.org/10.1007/s11172-020-2783-x Zobrazit plný text záznamu Full text from SpringerLink