Quantum-chemical investigation of methane intercalation into the interplane space of graphite-like systems

Autor:	A. F. Dmitruk, O. M. Zarechnaya, I. A. Opeida
Rok vydání:	2012
Předmět:	chemistry.chemical_compound chemistry Chemical physics Dimer Clathrate hydrate Inorganic chemistry Intercalation (chemistry) Molecule Oxidative coupling of methane Physical and Theoretical Chemistry Ovalene Endothermic process Methane
Zdroj:	Russian Journal of Physical Chemistry A. 86:1084-1087
ISSN:	1531-863X 0036-0244
DOI:	10.1134/s0036024412070060
Popis:	A quantum-chemical investigation is performed on the possibility of methane molecule intercalation between graphite-like planes. Ovalene dimer and its clathrates were used as models. We conclude that the existence of inclusion compounds of methane in graphite-like systems is possible. However, these compounds are endothermic, i.e., unstable. It is established that the structure with four methane molecules forms no bound supramolecular system. Clathrates with one, two, and three methane molecules may exist. The most stable of these is the clathrate with methane in the form of a dimer.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::fb477997ef289f0852f3eb30805beb27 https://doi.org/10.1134/s0036024412070060 Zobrazit plný text záznamu Full text from SpringerLink