Investigation of molecular association in mixtures of dimethylsulfoxide with trichloromethane by vibrational spectroscopy and ab initio calculations

Autor:	L. V. Ryabchuk, A. S. Krauze, M. T. Khatmullina
Rok vydání:	2007
Předmět:	Hydrogen bond Chemistry Ab initio Infrared spectroscopy Inorganic Chemistry symbols.namesake Computational chemistry Ab initio quantum chemistry methods Materials Chemistry symbols Molecule Physical and Theoretical Chemistry Ground state Basis set Raman scattering
Zdroj:	Journal of Structural Chemistry. 48:569-572
ISSN:	1573-8779 0022-4766
DOI:	10.1007/s10947-007-0086-9
Popis:	Vibrational spectroscopy methods (IR absorption and Raman scattering) are employed to investigate molecular association in dimethylsulfoxide (DMSO)-trichloromethane (TCM) mixtures. A spectral manifestation of the interactions between DMSO and TCM molecules are revealed. The ground state geometry of the complexes of DMSO with TCM (dimers and trimers) are calculated by the ab initio MP2 method using the 6-31G** basis set.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6a6a9d5930094a1a78fb3c1dea8c7fe8 https://doi.org/10.1007/s10947-007-0086-9 Zobrazit plný text záznamu Plný text ve formátu PDF