Spontaneous Symmetry Breaking Facilitates Metal-to-Ligand Charge Transfer: A Quantitative Two-Photon Absorption Study of Ferrocene-phenyleneethynylene Oligomers

2018 ◽  
Vol 9 (8) ◽  
pp. 1893-1899 ◽  
Author(s):  
Alexander Mikhaylov ◽  
Merle Uudsemaa ◽  
Aleksander Trummal ◽  
Eduardo Arias ◽  
Ivana Moggio ◽  
...  
2013 ◽  
Vol 15 (20) ◽  
pp. 7666 ◽  
Author(s):  
Honghua Hu ◽  
Olga V. Przhonska ◽  
Francesca Terenziani ◽  
Anna Painelli ◽  
Dmitry Fishman ◽  
...  

2018 ◽  
Vol 190 ◽  
pp. 03012
Author(s):  
Charles W. Stark ◽  
M. Rammo ◽  
K. Petritšenko ◽  
J. Pahapill ◽  
A. Mikhaylov ◽  
...  

Quantitative two-photon absorption (2PA) cross section and 2PA spectrum measurements were used to determine the molecular electric dipole change in the metal-to-ligand charge-transfer transition of ruthenium(II) tris-complexes of 2,2’-bipyridine ([Ru(bpy)3]2+) and 1,10-phenanthroline ([Ru(phen)3]2+) in several solvents.


RSC Advances ◽  
2016 ◽  
Vol 6 (52) ◽  
pp. 46853-46863 ◽  
Author(s):  
Zhi-Bin Cai ◽  
Hai-Min Shen ◽  
Mao Zhou ◽  
Sheng-Li Li ◽  
Yu-Peng Tian

Novel A–(π–D–π–A)3 compounds bearing pyridine end groups are apparently effective in achieving large two-photon responses owing to strong charge transfer.


2019 ◽  
Author(s):  
Pralok K. Samanta ◽  
Md Mehboob Alam ◽  
Ramprasad Misra ◽  
Swapan K. Pati

Solvents play an important role in shaping the intramolecular charge transfer (ICT) properties of π-conjugated molecules, which in turn can affect their one-photon absorption (OPA) and two-photon absorption (TPA) as well as the static (hyper)polarizabilities. Here, we study the effect of solvent and donor-acceptor arrangement on linear and nonlinear optical (NLO) response properties of two novel ICT-based fluorescent sensors, one consisting of hemicyanine and dimethylaniline as electron withdrawing and donating groups (molecule 1), respectively and its boron-dipyrromethene (BODIPY, molecule 2)-fused counterpart (molecule 3). Density functional theoretical (DFT) calculations using long-range corrected CAM-B3LYP and M06-2X functionals, suitable for studying properties of ICT molecules, are employed to calculate the desired properties. The dipole moment (µ) as well as the total first hyperpolarizability (β<sub>total</sub>) of the studied molecules in the gas phase is dominantly dictated by the component in the direction of charge transfer. The ratios of vector component of first hyperpolarizability (β<sub>vec</sub>) to β<sub>total</sub> also reveal unidirectional charge transfer process. The properties of the medium significantly affect the OPA, hyperpolarizability and TPA properties of the studied molecules. Time dependent DFT (TDDFT) calculations suggest interchanging between two lowest excited states of molecule 3 from the gas phase to salvation. The direction of charge polarization and dominant transitions among molecular orbitals involved in the OPA and TPA processes are studied. The results presented are expected to be useful in tuning the NLO response of many ICT-based chromophores, especially those with BODIPY acceptors.<br>


RSC Advances ◽  
2020 ◽  
Vol 10 (55) ◽  
pp. 33288-33298 ◽  
Author(s):  
Pen-ji Yan ◽  
Xijiao Mu ◽  
Jun Dong ◽  
Mengtao Sun

In this work, we theoretically investigate the structure and the transition characteristics of one- (OPA) and two-photon absorption (TPA) spectra of different length neutral and charged thiophene polymers


2017 ◽  
Vol 56 (27) ◽  
pp. 7831-7835 ◽  
Author(s):  
Lingjie Sun ◽  
Weigang Zhu ◽  
Wei Wang ◽  
Fangxu Yang ◽  
Congcong Zhang ◽  
...  

2017 ◽  
Vol 12 (14) ◽  
pp. 1736-1748 ◽  
Author(s):  
Łukasz G. Łukasiewicz ◽  
Hye Gun Ryu ◽  
Alexander Mikhaylov ◽  
Cloé Azarias ◽  
Marzena Banasiewicz ◽  
...  

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