Photophysics of Bis(thiocyanato)gold(I) Complexes: Intriguing Structure−Luminescence Relationships

Autor:	Nathan L. Coker, Mohammad A. Omary, and Angela K. Wilson, Charles E. Bedel, Samanthika R. Hettiarachchi, Pankaj Sinha, Howard H. Patterson, Ravi K. Arvapally, R. C. Elder
Rok vydání:	2007
Předmět:	Photoluminescence Chemistry Electronic structure Photochemistry Fluorescence Surfaces Coatings and Films Electronic Optical and Magnetic Materials Crystallography General Energy Covalent bond Excited state Physical and Theoretical Chemistry Luminescence Phosphorescence Ground state
Zdroj:	The Journal of Physical Chemistry C. 111:10689-10699
ISSN:	1932-7455 1932-7447
Popis:	The electronic structure of bis(thiocyanato)gold(I) complexes is studied both experimentally and theoretically. Temperature-dependent photoluminescence studies for K[Au(SCN)2] reveal two unstructured luminescence bands: a strong green phosphorescence band (τ77K = 45.4 μs) and a weak blue fluorescence band (τ77K = 24.4 ns) that becomes well-resolved by cooling toward 4 K or by time-resolved measurements, representing a rare case for Au(I) compounds whereby both fluorescence and phosphorescence are observed simultaneously. Quantum mechanical calculations for dimeric models indicate Au−Au covalent bond formation in the T1 lowest triplet excited state (2.62 A; υAu-Au = 180 cm-1), compared to corresponding values of 2.95 A and 84 cm-1, respectively, for the aurophilically bound S0 ground state. Intriguing structure−luminescence relations exist for bis(thiocyanato)gold(I) complexes with different cations such as K+, Rb+, n-Bu4N+, and Cs+ in which the salts with shorter Au···Au nearest-neighbor separations show...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d8acb08e1a9e2c96fe41bb1d633a9f4d https://doi.org/10.1021/jp0719356 Zobrazit plný text záznamu