An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene

Physical Chemistry Chemical Physics : PCCP
Lianjie XueR M Lynden-Bell

Abstract

The principal difference between 1-benzyl-3-methyl-imidazolium triflimide [BzC1im][NTf2] and an equimolar mixture of benzene and dimethylimidazolium triflimide [C1C1im][NTf2] is that in the former the benzene moieties are tied to the imidazolium ring, while in the latter they move independently. We use femtosecond optical heterodyne-detected Raman-induced Kerr effect spectroscopy (OHD-RIKES) and molecular simulations to explore some properties of these two systems. The Kerr spectra show small differences in the spectral densities; the simulations also show very similar environments for both the imidazolium rings and the phenyl or benzene parts of the molecules. The low frequency vibrational densities of states are also similar in the model systems. In order to perform the simulations we developed a model for the [BzC1im](+) cation and found that the barriers to rotation of the two parts of the molecule are low.

References

Dec 31, 2002·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Sergei V Dzyuba, Richard A Bartsch
May 28, 2005·The Journal of Chemical Physics·Hideaki ShirotaEdward W Castner
Dec 27, 2005·The Journal of Physical Chemistry. B·M Dolores ElolaJohn T Fourkas
Jul 21, 2006·The Journal of Physical Chemistry. B·Hideaki Shirota, Edward W Castner
Jul 27, 2006·The Journal of Physical Chemistry. a·Hideaki Shirota, Edward W Castner
Sep 1, 2006·The Journal of Physical Chemistry. a·Jie LiMichael D Fayer
Oct 19, 2007·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Thorsten KöddermannRalf Ludwig
Nov 21, 2007·Accounts of Chemical Research·Edward W CastnerHideaki Shirota
Oct 2, 2008·The Journal of Physical Chemistry. B·Dong XiaoEdward L Quitevis
Nov 26, 2008·Chemical Communications : Chem Comm·Timothy C Lillestolen, Richard J Wheatley
Mar 17, 2009·The Journal of Physical Chemistry. B·Dong XiaoEdward L Quitevis
Jun 27, 2009·The Journal of Physical Chemistry. B·Hideaki ShirotaTateki Ishida
Jun 10, 2010·The Journal of Physical Chemistry. B·Bruno G NicolauM D Fayer
Jun 12, 2010·The Journal of Physical Chemistry. B·Durba RoyMark Maroncelli
Jul 3, 2010·The Journal of Physical Chemistry. B·Hideaki ShirotaJames F Wishart
Jan 19, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Hideaki Shirota
Apr 25, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Fehmi BardakGregory A Voth
May 30, 2013·The Journal of Physical Chemistry. B·Leila MouraMargarida F Costa Gomes
Aug 15, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Thorsten KöddermannRalf Ludwig
Jan 11, 2014·Physical Chemistry Chemical Physics : PCCP·Richard P MatthewsPatricia A Hunt
Nov 20, 2015·Journal of Chemical Theory and Computation·Alston J MisquittaFarhang Fazeli

❮ Previous
Next ❯

Citations

Jan 5, 2017·Chemical Reviews·Vitor H PaschoalMauro C C Ribeiro
Jun 9, 2016·Physical Chemistry Chemical Physics : PCCP·Ruth M Lynden-Bell, Edward L Quitevis
Apr 5, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Chikashi Ota, Kazufumi Takano
Oct 3, 2017·The Journal of Physical Chemistry. B·Luiz F O FariaMauro C C Ribeiro
Apr 16, 2020·Chemical Reviews·Yong-Lei WangMichael D Fayer

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.