Conformational transformations of bis(trifluorovinyl) derivatives of napthalene and phenanthrene

Autor:	Keith W. Palmer, William R. Dolbier, Henryk Koroniak, Piotr Fiedorow
Rok vydání:	1992
Předmět:	Inorganic Chemistry chemistry.chemical_compound chemistry Computational chemistry Organic Chemistry Internal rotation Organic chemistry Molecule Fluorocarbon Phenanthrene Spectroscopy Standard enthalpy of formation Analytical Chemistry
Zdroj:	Journal of Molecular Structure. 273:305-315
ISSN:	0022-2860
Popis:	Energetic barriers of conformational transformations of 1,2-bis(trifluorovinyl)-naphthalene and 9,10-bis(trifluorovinyl)phenanthrene were calculated by molecular mechanics (MM) methods and compared with experimental data obtained by NMR. It was found that simple MM methods can give results which are in good agreement with experimental data. The geometries of stable conformations of the above compounds were also calculated.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b73b5086f86913b8e6a991d39e934972 https://doi.org/10.1016/0022-2860(92)87096-e Zobrazit plný text záznamu