Molecular association in dimethyl sulfoxide-nitromethane mixtures: Raman spectroscopy and quantum-chemical calculations

Autor:	A. S. Krauze, L. V. Rabchuk, M. T. Khatmullina
Rok vydání:	2007
Předmět:	Nitromethane Hydrogen bond Intermolecular force chemistry.chemical_compound symbols.namesake chemistry Computational chemistry Ab initio quantum chemistry methods symbols Physical chemistry Molecule Physical and Theoretical Chemistry Ground state Raman spectroscopy Basis set
Zdroj:	Russian Journal of Physical Chemistry A. 81:1267-1270
ISSN:	1531-863X 0036-0244
DOI:	10.1134/s003602440708016x
Popis:	Dimethyl sulfoxide-nitromethane (DMSO-NM) binary mixtures have been studied. Intermolecular associates are formed in these mixtures via the interaction between DMSO and NM molecular dipoles and hydrogen bonding. Ab initio calculations have been carried out at the MP2 perturbation theory level using the 6-31G(d, p) basis set to determine the optimal ground state geometry for DMSO complexes with NM and correctly assign new vibrational bands of molecules in various types of mixed intermolecular associates.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::63761b1adeb0f542cebdb053e0124b32 https://doi.org/10.1134/s003602440708016x Zobrazit plný text záznamu Full text from SpringerLink