scholarly journals Disentangling thermal and nonthermal excited states in a charge-transfer insulator by time- and frequency-resolved pump-probe spectroscopy

2009 ◽  
Vol 80 (23) ◽  
Author(s):  
Claudio Giannetti ◽  
Goran Zgrablic ◽  
Cristina Consani ◽  
Alberto Crepaldi ◽  
Damiano Nardi ◽  
...  
2020 ◽  
Author(s):  
Siqi Li ◽  
Taran Driver ◽  
Oliver Alexander ◽  
Bridgette Cooper ◽  
Douglas Garratt ◽  
...  

An atomic-level picture of molecular and bulk processes, such as chemical bonding and charge transfer, necessitatesanunderstandingofthedynamicalevolutionofthesesystems. Ontheultrafasttimescalesassociatedwithnuclearandelectronicmotion,thetemporalbehaviourofasystem is often interrogated in a ‘pump-probe’ scheme. Here, an initial ‘pump’ pulse triggers...


Author(s):  
Euclides Almeida ◽  
Antonio M. Brito-Silva ◽  
Andréa F. da Silva ◽  
Giovanna Machado ◽  
Leonardo de S. Menezes ◽  
...  

2016 ◽  
Vol 18 (19) ◽  
pp. 13546-13553 ◽  
Author(s):  
B. Küçüköz ◽  
G. Sevinç ◽  
E. Yildiz ◽  
A. Karatay ◽  
F. Zhong ◽  
...  

Indication of charge transfer and an intersystem crossing mechanism for the B4 compound by using ultrafast pump probe spectroscopy.


2012 ◽  
Vol 11 (03) ◽  
pp. 505-525 ◽  
Author(s):  
YUHUA ZHOU ◽  
KAI TAN ◽  
XIN LU

We have performed a systematic density functional study on the ground-state electronic structure and excited states of a representative D-σ-A dyad, i.e. EDT-TTF-Im-F4TCNQ π-radical, in vacuo and in different conventional solvents (toluene, THF, DMF and DMSO) by using some popular hybrid density functionals (B3LYP, M05, M05-2X, PBE0 and BMK). It has been shown that the M05 and B3LYP functionals perform the best in predicting the intramolecular charge-transfer (ICT) pertaining to both the ground state and excited states of the dyad. The amphoteric dyad is liable to solvent-promoted ICT from its EDT-TTF-Im donor (D) to F4TCNQ acceptor (A), adopting a charge-unseparated ground state D-A• in vacuo, a partially zwitterionic ground state [D-A]• in nonpolar toluene solvent, and a fully zwitterionic ground state D•+-A- in such polar solvents as THF, DMF and DMSO. Owing to its solvent-dependent chameleon ground state, excited states of the dyad in solvents also exhibit remarkable dependence on solvent polarity, as revealed by TDDFT calculations. Furthermore, cluster model calculations revealed that intermolecular charge-transfer readily occurs between the dyads, accounting for the observed zwitterionic charge state in solid state and solid-state semiconductivity.


Biochemistry ◽  
1998 ◽  
Vol 37 (4) ◽  
pp. 1143-1149 ◽  
Author(s):  
Claudiu C. Gradinaru ◽  
Andy A. Pascal ◽  
Frank van Mourik ◽  
Bruno Robert ◽  
Peter Horton ◽  
...  

2016 ◽  
Vol 18 (31) ◽  
pp. 21241-21245 ◽  
Author(s):  
Lara Martinez-Fernandez ◽  
Yuyuan Zhang ◽  
Kimberly de La Harpe ◽  
Ashley A. Beckstead ◽  
Bern Kohler ◽  
...  

The IR spectrum of a charge transfer (CT) excited electronic state in DNA has been computed for the first time, enabling assignment of the long-lived component of the transient IR spectrum of a d(AT)9 single strand to an A → T CT state.


Author(s):  
Daniele Brida ◽  
Dario Polli ◽  
Jared Crochet ◽  
Tobias Hertel ◽  
Guglielmo Lanzani ◽  
...  

2016 ◽  
Vol 18 (27) ◽  
pp. 18289-18296 ◽  
Author(s):  
M. M. Mróz ◽  
S. Benedini ◽  
A. Forni ◽  
C. Botta ◽  
D. Pasini ◽  
...  

The combination of continuum and ultrafast pump–probe spectroscopy, in viscous and non-viscous environments, with DFT and TDDFT calculations, is effective in unraveling important features of the twisted intramolecular charge transfer mechanism in a new push–pull molecule that possesses aggregation induced emission properties.


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