Solution conformations of unconstrained eight-membered 1,5-heterocycles containing sulfur and phosphorus

Autor:	Charles P. Nash, Susan D. Toto, W. Kenneth Musker
Rok vydání:	1997
Předmět:	Computational chemistry Chemistry Phosphorus Organic Chemistry Drug Discovery Proton NMR Organic chemistry chemistry.chemical_element Biochemistry Sulfur
Zdroj:	Tetrahedron. 53:7461-7468
ISSN:	0040-4020
DOI:	10.1016/s0040-4020(97)00455-9
Popis:	The conformational analysis of three unconstrained eight-membered heterocycles (1, 5- dithiacyclooctane (1,5-DTCO), 1-phenyl-1-phospha-5-thiacyclooctane, and trans-1, 5-diphenyl-1,5-diphosphacyclooctane 1,5-dioxide) has been carried out. The relative energies of all possible conformations were calculated and their appropriately weighted contributions yielded good simulations of the 1 H NMR spectra of these compounds.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e70d5522815da964c04ac226fe889c70 https://doi.org/10.1016/s0040-4020(97)00455-9 Zobrazit plný text záznamu Full Text from ScienceDirect