title: Theoretical and experimental investigation of photophysical properties of Zn(DFP SAMQ)2.
abstract: Theoretical calculations and experimental measurements were carried out for the investigation of spectroscopic and photophysical properties of Zn(DFP SAMQ)2 complex. The rate constant of intersystem crossing and the radiative rate constant were calculated using ab initio method. The rate constant of the internal conversion was estimated using the received calculated values and the experimental fluorescence quantum yield. It was shown that the main mechanism for the deactivation of the excited electronic energy of the first singlet excited state is the process of internal conversion.
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia; Tomsk Polytechnic University, 43a Lenin Avenue, Building 2, Tomsk 634050, Russia. Electronic address: valievrashid@mail.ru.
authors.forename: R R
authors.initials: RR
authors.lastname: Valiev
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia.
authors.forename: E N
authors.initials: EN
authors.lastname: Telminov
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia.
authors.forename: T A
authors.initials: TA
authors.lastname: Solodova
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia.
authors.forename: E N
authors.initials: EN
authors.lastname: Ponyavina
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia.
authors.forename: R M
authors.initials: RM
authors.lastname: Gadirov
authors.affiliation: Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region 142432, Russia.
authors.forename: M G
authors.initials: MG
authors.lastname: Kaplunov
authors.affiliation: Tomsk State University, 36 Lenin Avenue, Tomsk 634050, Russia.
authors.forename: T N
authors.initials: TN
authors.lastname: Kopylova
mesh_terms: D007531:Isoflurophate / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D015032:Zinc / Q000737:chemistry*
chemical_list: D007531:Isoflurophate; D015032:Zinc
keywords: Internal conversion; Photophysics; Zinc complex