Chemistry of Vibronic Coupling. 3. How One Might Maximize Off-Diagonal Dynamic Vibronic Coupling Constants for Intervalence Charge-Transfer (IVCT) States in an ABA• System (A, B = Alkali Metal, H, Halogen)?

Autor:	Wojciech Grochala, Roald Hoffmann
Rok vydání:	2000
Předmět:	Vibronic coupling Chemistry Diagonal Halogen Physical chemistry Physical and Theoretical Chemistry Intervalence charge transfer Alkali metal Photochemistry Large group System a
Zdroj:	The Journal of Physical Chemistry A. 104:9740-9749
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp0017745
Popis:	We investigate computationally the vibronic coupling constant in a large group of simple uncharged ABA• systems (A, B = H, Li, Na, K, Rb, Cs, F, Cl, Br, I), which may be formally mixed-valence or i...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2ae8786212a24897ffbc8628db7f8860 https://doi.org/10.1021/jp0017745 Zobrazit plný text záznamu