A Mechanistic Study of the Brønsted-Acid Catalysis of n-Hexane → Propane + Propene, Featuring Carbonium Ions

Autor:	Christa Seitz, Allan L. L. East, Ken C. Hunter
Rok vydání:	2002
Předmět:	Hexane Propene chemistry.chemical_compound Carbonium ion chemistry Catalytic cycle Computational chemistry Organic chemistry Density functional theory Physical and Theoretical Chemistry Brønsted–Lowry acid–base theory Transition state Catalysis
Zdroj:	The Journal of Physical Chemistry A. 107:159-168
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp021881u
Popis:	A hypothetical five-step catalytic cycle for Bronsted-mediated fission of an all-trans n-alkane was examined using density functional theory. Optimized geometries and transition states were determi...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f70b8c0d97ec0bab7e218505e2fea2f8 https://doi.org/10.1021/jp021881u Zobrazit plný text záznamu