Charge transfer induced enhancement of near-IR two-photon absorption of 5,15-bis(azulenylethynyl) zinc(ii) porphyrins

2007 ◽  
pp. 2479 ◽  
Author(s):  
Kil Suk Kim ◽  
Su Bum Noh ◽  
Takayuki Katsuda ◽  
Shuji Ito ◽  
Atsuhiro Osuka ◽  
...  
2016 ◽  
Vol 4 (15) ◽  
pp. 3256-3267 ◽  
Author(s):  
Jingyun Tan ◽  
Yujin Zhang ◽  
Meirong Zhang ◽  
Xiaohe Tian ◽  
Yiming Wang ◽  
...  

Six thiophene-based chalcone derivatives were synthesized, and their structure–property relationship was investigated systematically. Small molecules as they are, they have showed favorable Φ and σ values in the near-IR region.


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>


2016 ◽  
Vol 40 (10) ◽  
pp. 8809-8814 ◽  
Author(s):  
Shasha Xu ◽  
Yingzhong Zhu ◽  
Rui Li ◽  
Jian Su ◽  
Shengli Li ◽  
...  

Two novel D–π–A structural chromophores showing large 2PA active cross-sections, low cytotoxicity and high stability in near-IR bio-imaging.


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 ◽  
...  

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