VBT helps pave the way to ionicity determination
Amol Patil
Happy to inform you that one of my article making use of Modern ab initio Valence Bond Theory and far IR spectroscopy for Ionicity determination has been recently published in Journal of Molecular Liquids.
Modern ab initio Valence Bond Theory calculations for neutral and ionic species of a prototypical ionic Liquids shows that relative contributions of
N: H+ :O-
Lewis structure is comparable in the total wavefunction of the PIL system. Since this Water's Zundel like configuration is responsible for hydrogen Bond stretching mode in molecules FIR spectra can be quantitatively compared for getting relative abundance of the Neutral and Ionic species in the liquid.
The article can be downloaded without registration or log in from Elsevier site by clicking on the following link for the next 45 days as per strategy of Elsevier.
https://authors.elsevier.com/c/1WKDhc8qpEwzf
Please go through it and if possible provide your comments, suggestions and feedback which will be helpful for me in my future endeavours.
I also take this opportunity to thank Prof. Wei Wu and Dr. Fuming Ying for their valuable help and guidance I have been receiving for last few years.
Thanking you.
Yours,
ABP.
