Cover Feature: Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling (ChemPhysChem 6/2019) | Zendy

Thaunay Florian | Zendy; Calvo Florent | Zendy; Nicol Edith | Zendy; Ohanessian Gilles | Zendy; Clavaguéra Carine | Zendy

Premium

Cover Feature: Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling (ChemPhysChem 6/2019)

Author(s) -

Thaunay Florian,

Calvo Florent,

Nicol Edith,

Ohanessian Gilles,

Clavaguéra Carine

Publication year - 2019

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.201900202

Subject(s) - valence bond theory , valence (chemistry) , chemistry , infrared spectroscopy , deprotonation , spectroscopy , protonation , computational chemistry , physics , molecule , quantum mechanics , organic chemistry , molecular orbital , ion

The Cover Feature illustrates dynamical proton sharing between the two carboxylic ends of a dicarboxylic acid. This model was confirmed through calculations combining the many‐body polarizable AMOEBA force field with a two‐state empirical valence‐bond (EVB) model. More information can be found in the Article by F. Thaunay et al. on page 803 in Issue 6, 2019 (DOI: 10.1002/cphc.201800947).

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research