Vibrational spectroscopy and dynamics of azide ion in ionic liquid and dimethyl sulfoxide water mixtures
Article Abstract:
Steady-state and time-resolved infrared spectroscopy of the azide [(N.sub.3.sup.-]) anion is used to characterize aqueous mixtures both with the ionic liquid (IL) 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM]-[B[F.sub.4]]) and with dimethyl sulfoxide (DMSO). The small anion vibrational spectra and dynamics have shown that the differences between molecular and ionic liquids are less than those between either of the neat solvents and the corresponding mixture with water.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
Solvent and protein effects on the vibrational frequency shift and energy relaxation of the azide ligand in carbonic anhydrase
Article Abstract:
Combined QM/MM molecular dynamics simulations were carried out to investigate the vibrational frequency shift for the azide antisymmetric stretch mode induced by aqueous solvation and by carbonic anhydrase II. The oscillator and the enzyme active site were treated explicitly by quantum mechanics.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Ab initio study of energetic solids: Cupric azide, mercuric azide, and lead azide. Comparative first-principles study of structural and optical properties of alkali metal azides
- Abstracts: Bond energy prediction of Curie temperature of lithium niobate crystals. Room temperature synthesis of curved ammonium copper molybdate nanoflake and its hierarchical architecture
- Abstracts: Dissociation of carbon monoxide on the rhenium(10-10) surface