Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids

Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids Invited Review

Raman Spectroscopy, Ab-initio Model Calculations and Conformational Equilibria in Ionic Liquids

Towards large-scale, fully ab initio calculations of ionic liquids.

Ionic liquids have attracted a substantial amount of interest as replacement of traditional electrolytes in high efficiency electrochemical devices for generation and storage of energy due to their superior physical and chemical properties, especially low volatility and high electrochemical stability. For enhanced performance of the electrochemical devices ionic liquids are required to be highl...

What Can We Learn from Raman Spectroscopy and Model Calculations on Room Temperature Ionic Liquids?

Traditionally room temperature ionic liquids (RTIL’s) also involve inorganic hygroscopic substances that need to be contained under protective atmospheres, e.g. in sealed ampoules. Experimental methods to study the chemistry inside closed ampoules are limited, and one popular technique has been and still is Raman scattering because the laser light easily passes through the glassy ampoule wall. ...

Emission Spectroscopy and Ab Initio Calculations on IrN.

The emission spectrum of IrN was recorded in the near infrared using a Fourier transform spectrometer. The IrN molecules were excited in an Ir hollow cathode lamp operated with a mixture of Ne and a trace of N(2). Numerous IrN bands observed in the 7500-9200 cm(-1) region were assigned to a new a(3)Pi-X(1)Sigma(+) electronic transition with the 0-0 bands of the a(3)Pi(0)-X(1)Sigma(+) and a(3)Pi...