Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere-Reference-Cited by-同舟云学术

Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere

Published:2019 Issue:1 Volume:21 Page:455-467
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sitkiewicz Sebastian P.¹²³⁴^ORCID,Rivero Daniel⁵⁶⁷⁸⁴,Oliva-Enrich Josep M.⁵⁶⁷⁸⁴,Saiz-Lopez Alfonso⁵⁶⁷⁸⁴,Roca-Sanjuán Daniel⁹¹⁰¹¹⁴^ORCID

Affiliation:

1. Kimika Fakultatea

2. Euskal Herriko Unibertsitatea UPV/EHU and Donostia International Physics Center (DIPC)

3. 20080 Donostia

4. Spain

5. Department of Atmospheric Chemistry and Climate

6. Institute of Physical Chemistry Rocasolano

7. CSIC

8. 28006 Madrid

9. Institut de Ciència Molecular

10. Universitat de València

11. 46071 València

Abstract

The electronic-structure properties of the low-lying electronic states and the absorption cross sections of mercury halides have been determined within the UV-vis spectrum range (170 nm ≤ λ_photon ≤ 600 nm).

Funder

Secretaría de Estado de Investigación, Desarrollo e Innovación

Eusko Jaurlaritza

European Regional Development Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP06160B

Reference76 articles.

1. Enhanced production of oxidised mercury over the tropical Pacific Ocean: a key missing oxidation pathway