Conformational analysis of intramolecular excimer formation in meso and racemic 1,1′-di (2-naphthyl) diethylether

Autor:	F. Laupretre, E. Pajot-Augy, F. C. De Schryver, Liliane Bokobza, Lucien Monnerie
Rok vydání:	1986
Předmět:	Crystallography Bicyclic molecule Chemistry Meso compound Intramolecular force Internal rotation Physical and Theoretical Chemistry Condensed Matter Physics Ground state Excimer Photochemistry Biochemistry Fluorescence
Zdroj:	Journal of Molecular Structure: THEOCHEM. 136:1-14
ISSN:	0166-1280
DOI:	10.1016/0166-1280(86)87056-7
Popis:	A conformational analysis of meso and racemic 1,1′-di (2-naphthyl)-diethylether has been performed using the semiempirical differential PCILO method. The most stable ground-state and excimer conformations were determined as well as the potential barriers involved in intramolecular excimer formation. The results of the calculations were compared with experimental results obtained by the excimer fluorescence technique. The most interesting features observed — i.e., the dual excimer fluorescence emission of the meso isomer, and the equilibrium between two preferred conformations in the ground state of the racemic isomer — were corroborated by the results of the computations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::108bfb53a4c9830430018f7ee56b7245 https://doi.org/10.1016/0166-1280(86)87056-7 Zobrazit plný text záznamu