Photochemistry in Real Space: Batho‐ and Hypsochromism in the Water Dimer

Invited for the cover of this issue is Alberto Fernández‐Alarcón and co‐workers at The Institute of Chemistry of the National Autonomous University of Mexico and The School of Chemistry of the University of Oviedo. The image depicts the real space analysis of the excitation energies in the double bl...

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Bibliographic Details
Published in:Chemistry : a European journal 2020-12, Vol.26 (71), p.16951-16951
Main Authors: Fernández‐Alarcón, Alberto, Guevara‐Vela, José Manuel, Casals‐Sainz, José Luis, Costales, Aurora, Francisco, Evelio, Martín Pendás, Ángel, Rocha Rinza, Tomás
Format: Article
Language:English
Subjects:
Atmospheric chemistry
Chemistry
Dimers
Doppler effect
Photochemistry
Red shift
Online Access:Get full text
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Summary:Invited for the cover of this issue is Alberto Fernández‐Alarcón and co‐workers at The Institute of Chemistry of the National Autonomous University of Mexico and The School of Chemistry of the University of Oviedo. The image depicts the real space analysis of the excitation energies in the double blue and red shift of the water dimer. Read the full text of the article at 10.1002/chem.202002854. “The method IQA/EOM‐CCSD permits the identification of the atoms and chemical interactions wherein the effects of photoexcitation are most notorious. In this work, we investigate how non‐covalent interactions, e.g. hydrogen bonds, affect the photoabsorption energy of a given system. We illustrate this possibility via the double red and blue shift of (H2O)2 which correspond to mostly localized excitations in the H‐bond donor and acceptors in the cluster respectively.” Read more about the story behind the cover in the Cover Profile and about the research itself on page 17035 ff. (DOI: 10.1002/chem.202002854).
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202004293