Direct Dynamics Studies of a Binuclear Metal Complex in Solution: The Interplay Between Vibrational Relaxation, Coherence, and Solvent Effects

J Phys Chem Lett. 2014 Jul 17;5(14):2414-8. doi: 10.1021/jz500850s. Epub 2014 Jun 26.

Authors

Asmus Ougaard Dohn¹, Elvar Örn Jónsson², Kasper Skov Kjær², Tim Brandt van Driel², Martin Meedom Nielsen², Karsten Wedel Jacobsen², Niels Engholm Henriksen¹, Klaus Braagaard Møller¹

Affiliations

¹ †Department of Chemistry, Technical University of Denmark, Building 207, 2800 Kongens Lyngby, Denmark.
² ‡Department of Physics, Technical University of Denmark, Building 307, 2800 Kongens Lyngby, Denmark.

PMID: 26277808
DOI: 10.1021/jz500850s

No abstract available

Keywords: BOMD; Electronic Structure; Excited States; QM/MM MD; Solvation; Transition Metal Complexes; Ultrafast Dynamics.