A frontier molecular orbital treatment of fulvene cycloadditions

Autor:	Kendall N. Houk, J.K. George, R. E. Duke
Rok vydání:	1974
Předmět:	chemistry.chemical_compound Chemistry Computational chemistry Organic Chemistry Drug Discovery Molecular orbital Fulvenes Biochemistry Spectral line Fulvene
Zdroj:	Tetrahedron. 30:523-533
ISSN:	0040-4020
DOI:	10.1016/s0040-4020(01)96997-2
Popis:	MO calculations have been carried out on substituted fulvenes by several semiempirical methods. The results of these calculations are compared with those by other methods, and with photoelectron spectroscopic data obtained here for several substituted fulvenes. Predictions about the periselectivity ([6+4] or [4+2]) of fulvene cycloadditions with dienes, 1,3-dipoles, and ketenes are made and compared with experimental data, where available.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a6e8c92b416575abab17c4fe60c6a47a https://doi.org/10.1016/s0040-4020(01)96997-2 Zobrazit plný text záznamu