Aggregation of lactic acid in cold rare-gas matrices and the link to solution: a matrix isolation-vibrational circular dichroism study

2019 ◽  
Vol 21 (7) ◽  
pp. 3574-3584 ◽  
Author(s):  
Angelo Shehan Perera ◽  
Joseph Cheramy ◽  
Mohammad Reza Poopari ◽  
Yunjie Xu
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Matrix Isolation ◽  
Vibrational Circular Dichroism ◽  
Rare Gas ◽  
Spectral Features ◽  
Circular Dichroïsm ◽  
Self Aggregation ◽  
Insight Into

Crucial insight into lactic acid self-aggregation in solution is obtained by following its unique VCD spectral features in cold matrices.

The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution

2021 ◽  
Author(s):  
Sascha Jähnigen ◽  
Daniel Sebastiani ◽  
Rodolphe Vuilleumier
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Computational Study ◽  
Bulk Water ◽  
Vibrational Circular Dichroism ◽  
Ab Initio Molecular Dynamics ◽  
Non Covalent Interactions ◽  
Circular Dichroïsm ◽  
Covalent Interactions

We present a computational study of vibrational circular dichroism (VCD) in solutions of (S)-lactic acid, relying on ab initio molecular dynamics (AIMD) and full solvation with bulk water. We discuss...

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