Hyperpolarizability of polyene chains in H�ckel model with an accounting for real geometry

Autor:	A. Yu. Semenov, Yu. F. Pedash
Rok vydání:	1992
Předmět:	chemistry.chemical_compound Molecular geometry Chemistry Alternation (geometry) Hyperpolarizability General Chemistry Atomic physics Polyene Cis–trans isomerism
Zdroj:	Theoretical and Experimental Chemistry. 28:23-26
ISSN:	1573-935X 0040-5760
DOI:	10.1007/bf01006988
Popis:	It has been found that in the transconfiguration, the Huckel hyperpolarizability of π-shells (\(\overline \gamma \)) vanishes at a bond angle of 125‡. The cis configuration is characterized by alternation of the sign of\(\overline \gamma \), depending on whether N/2 is odd or even (N is the number of carbon atoms). Approximate relationships have been established:\(\bar \gamma \sim {\rm N}^5 \) for the trans form, and\(\bar \gamma \sim {\rm N}^6 \) for the cis form.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::426f3b81a081ac595c8a722760a37f6d https://doi.org/10.1007/bf01006988 Zobrazit plný text záznamu Full text from SpringerLink