Molecular interactions in 1,3-dimethylimidazolium-bis(trifluromethanesulfonyl)imide ionic liquid Export

@article{citeulike:2036983, abstract = {Molecular interactions in 1,3-dimethylimidazolium-bis(trifluromethanesulfonyl)imide ionic liquids are studied by employing the ab initio Hartree-Fock and density functional methods. Different conformers are simulated with respect to molecular interactions between cation and anion. Manifestation of these molecular interactions in the vibrational spectra is discussed. Direction of frequency shifts of the normal vibrations relative to those in free anion and cations are explained by calculating difference electron density coupled with molecular electron density topography.}, author = {Dhumal, Nilesh R.}, citeulike-article-id = {2036983}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/j.chemphys.2007.10.004}, citeulike-linkout-1 = {http://www.sciencedirect.com/science/article/B6TFM-4PXDM7H-3/2/cc87f806cddbf4b0369a63ae5f39a8fd}, day = {6}, doi = {10.1016/j.chemphys.2007.10.004}, journal = {Chemical Physics}, keywords = {abinitio, hartreefock, interactions, ionic, liquid, molecular, rtil}, month = {December}, number = {1-3}, pages = {245--252}, posted-at = {2007-12-01 11:25:48}, priority = {3}, title = {Molecular interactions in 1,3-dimethylimidazolium-bis(trifluromethanesulfonyl)imide ionic liquid}, url = {http://dx.doi.org/10.1016/j.chemphys.2007.10.004}, volume = {342}, year = {2007} }

TY - JOUR ID - citeulike:2036983 L3 - citeulike-article-id:2036983 N2 - Molecular interactions in 1,3-dimethylimidazolium-bis(trifluromethanesulfonyl)imide ionic liquids are studied by employing the ab initio Hartree-Fock and density functional methods. Different conformers are simulated with respect to molecular interactions between cation and anion. Manifestation of these molecular interactions in the vibrational spectra is discussed. Direction of frequency shifts of the normal vibrations relative to those in free anion and cations are explained by calculating difference electron density coupled with molecular electron density topography. IS - 1-3 JF - Chemical Physics EP - 252 TI - Molecular interactions in 1,3-dimethylimidazolium-bis(trifluromethanesulfonyl)imide ionic liquid VL - 342 SP - 245 KW - abinitio KW - hartreefock KW - interactions KW - ionic KW - liquid KW - molecular KW - rtil AU - Dhumal, Nilesh PY - 2007/12/06/ UR - http://dx.doi.org/10.1016/j.chemphys.2007.10.004 ER -