Demystifying the Origin of Vibrational Coherence Transfer Between the S1 and T1 States of the Pt-pop Complex

2021 ◽  
pp. 9768-9773
Author(s):  
Pijush Karak ◽  
Kenneth Ruud ◽  
Swapan Chakrabarti
Keyword(s):  
Coherence Transfer ◽  
Vibrational Coherence

Frequency-Domain Time-Resolved Four Wave Mixing Spectroscopy of Vibrational Coherence Transfer with Single-Color Excitation

2008 ◽  
Vol 112 (28) ◽  
pp. 6320-6329 ◽  
Author(s):  
Andrei V. Pakoulev ◽  
Mark A. Rickard ◽  
Nathan A. Mathew ◽  
Kathryn M. Kornau ◽  
John C. Wright
Keyword(s):  
Frequency Domain ◽  
Four Wave Mixing ◽  
Wave Mixing ◽  
Coherence Transfer ◽  
Time Resolved ◽  
Vibrational Coherence

Multilevel vibrational coherence transfer and wavepacket dynamics probed with multidimensional IR spectroscopy

2008 ◽  
Vol 129 (8) ◽  
pp. 084503 ◽  
Author(s):  
Matthew J. Nee ◽  
Carlos R. Baiz ◽  
Jessica M. Anna ◽  
Robert McCanne ◽  
Kevin J. Kubarych
Keyword(s):  
Ir Spectroscopy ◽  
Coherence Transfer ◽  
Vibrational Coherence ◽  
Wavepacket Dynamics

scholarly journals Vibrational coherence transfer in an electronically decoupled molecular dyad

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Felix Schweighöfer ◽  
Lars Dworak ◽  
Markus Braun ◽  
Marc Zastrow ◽  
Jan Wahl ◽  
...  
Keyword(s):  
Coherence Transfer ◽  
Vibrational Coherence

Photoinduced Vibrational Coherence Transfer in Molecular Dimers†

2007 ◽  
Vol 111 (41) ◽  
pp. 10212-10219 ◽  
Author(s):  
Dmitri S. Kilin ◽  
Oleg V. Prezhdo ◽  
Michael Schreiber
Keyword(s):  
Coherence Transfer ◽  
Vibrational Coherence

scholarly journals Vibrational coherence transfer in the ultrafast intersystem crossing of a diplatinum complex in solution

2018 ◽  
Vol 115 (28) ◽  
pp. E6396-E6403 ◽  
Author(s):  
Roberto Monni ◽  
Gloria Capano ◽  
Gerald Auböck ◽  
Harry B. Gray ◽  
Antonín Vlček ◽  
...  
Keyword(s):  
Intermediate State ◽  
Density Functional ◽  
Transient Absorption ◽  
Spin Transition ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Coherence Transfer ◽  
Vibrational Coherence ◽  
Pure Dephasing ◽  
Solvation Energies

We investigate the ultrafast transient absorption response of tetrakis(μ-pyrophosphito)diplatinate(II), [Pt2(μ-P2O5H2)4]4− [hereafter abbreviated Pt(pop)], in acetonitrile upon excitation of its lowest singlet 1A2u state. Compared with previously reported solvents [van der Veen RM, Cannizzo A, van Mourik F, Vlček A, Jr, Chergui M (2011) J Am Chem Soc 133:305–315], a significant shortening of the intersystem crossing (ISC) time (<1 ps) from the lowest singlet to the lowest triplet state is found, allowing for a transfer of vibrational coherence, observed in the course of an ISC in a polyatomic molecule in solution. Density functional theory (DFT) quantum mechanical/molecular mechanical (QM/MM) simulations of Pt(pop) in acetonitrile and ethanol show that high-lying, mostly triplet, states are strongly mixed and shifted to lower energies due to interactions with the solvent, providing an intermediate state (or manifold of states) for the ISC. This suggests that the larger the solvation energies of the intermediate state(s), the shorter the ISC time. Because the latter is smaller than the pure dephasing time of the vibrational wave packet, coherence is conserved during the spin transition. These results underscore the crucial role of the solvent in directing pathways of intramolecular energy flow.

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