On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer-Reference-Cited by-同舟云学术

On the interplay of solvent and conformational effects in simulated excited-state dynamics of a copper phenanthroline photosensitizer

Published:2020 Issue:2 Volume:22 Page:748-757
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Levi Gianluca¹²³^ORCID,Biasin Elisa⁴⁵⁶⁷⁸^ORCID,Dohn Asmus O.¹²³^ORCID,Jónsson Hannes¹²³^ORCID

Affiliation:

1. Science Institute and Faculty of Physical Sciences

2. University of Iceland

3. Iceland

4. PULSE Institute

5. SLAC National Accelerator Laboratory

6. Menlo Park

7. California 94025

8. USA

Abstract

QM/MM direct dynamics simulations in acetonitrile reveal the interplay between solvent and conformational effects in the photoinduced ultrafast flattening of a copper photosensitizer.

Funder

Icelandic Centre for Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06086C

Reference65 articles.

1. Heteroleptic diimine–diphosphine Cu(I) complexes as an alternative towards noble-metal based photosensitizers: Design strategies, photophysical properties and perspective applications

2. Photoactive mono- and polynuclear Cu(i)–phenanthrolines. A viable alternative to Ru(ii)–polypyridines?

3. MLCT excited states of cuprous bis-phenanthroline coordination compounds

4. Robust Cuprous Phenanthroline Sensitizer for Solar Hydrogen Photocatalysis

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