Supplementing liquid-crystal NMR data with data from electron diffraction and rovibrational spectroscopy to determine a more precise and accurate structure for p-dichlorobenzene

Autor:	Phillip B. Liescheski, Stephen Cradock, David W. H. Rankin
Rok vydání:	1991
Předmět:	Dichlorobenzene Electron diffraction Chemistry Liquid crystal General Engineering Analytical chemistry Rotational–vibrational spectroscopy Solvent effects Spectroscopy Nmr data Planarity testing
Zdroj:	Journal of Magnetic Resonance (1969). 91:316-325
ISSN:	0022-2364
Popis:	The supplementation of data from liquid-crystal NMR with data from electron diffraction and rovibrational spectroscopy in order to determine a more precise and accurate structure and the application of this technique to p -dichlorobenzene are described. Direct and indirect couplings involving 13 C nuclei, a rotation constant obtained by high-resolution FT IR spectroscopy, and new electron diffraction data have been recorded and analyzed simultaneously. Assuming planarity and D 2 h symmetry, the best ( r α structure for p -dichlorobenzene thus obtained is r CH = 107.6(3) pm, r CC1 = 172.93(14) pm, r C(1)C(2) = 139.53(7) pm, rC (2)C(3) = 139.12(17) pm
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5969ef2427bbf31e61cf9c8c7d3dfbce https://doi.org/10.1016/0022-2364(91)90195-y Zobrazit plný text záznamu