Theoretical Study of Two-Photon Absorption in Donor−Acceptor Chromophores Tetraalkylammonium Halide/Carbon Tetrabromide

2006 ◽  
Vol 110 (34) ◽  
pp. 10330-10335 ◽  
Author(s):  
Juan Shen ◽  
Wen-Dan Cheng ◽  
Dong-Sheng Wu ◽  
You-Zhao Lan ◽  
Fei-Fei Li ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Carbon Tetrabromide ◽  
Two Photon ◽  
Tetraalkylammonium Halide ◽  
Donor Acceptor

Theoretical study of one- and two-photon absorption properties of expanded donor-acceptor calix[4]arenes

2009 ◽  
Vol 23 (2) ◽  
pp. 126-133 ◽  
Author(s):  
Wen-Chao Li ◽  
Ji-Kang Feng ◽  
Ai-Min Ren ◽  
Xiang-Biao Zhang ◽  
Chia-Chung Sun
Keyword(s):  
Theoretical Study ◽  
Photon Absorption ◽  
Absorption Properties ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Donor Acceptor

scholarly journals Tuning of Hyperpolarizability, One- and Two-Photon Absorption of D-A and D-A-A Type Intramolecular Charge Transfer Based Sensors

2019 ◽  
Author(s):  
Pralok K. Samanta ◽  
Md Mehboob Alam ◽  
Ramprasad Misra ◽  
Swapan K. Pati
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Density Functional ◽  
Intramolecular Charge Transfer ◽  
Photon Absorption ◽  
First Hyperpolarizability ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Nlo Response ◽  
Donor Acceptor

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>

Multiple Intramolecular Charge Transfers in Multimodular Donor–Acceptor Chromophores with Large Two-Photon Absorption

2020 ◽  
Vol 124 (45) ◽  
pp. 24631-24643
Author(s):  
Yogajivan Rout ◽  
Alessio Cesaretti ◽  
Elena Ferraguzzi ◽  
Benedetta Carlotti ◽  
Rajneesh Misra
Keyword(s):  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Donor Acceptor

Strategy towards large two-photon absorption cross-sections for diketopyrrolopyrroles

2015 ◽  
Vol 3 (4) ◽  
pp. 742-749 ◽  
Author(s):  
Anna Purc ◽  
Krzysztof Sobczyk ◽  
Yusuke Sakagami ◽  
Akihiro Ando ◽  
Kenji Kamada ◽  
...  
Keyword(s):  
Cross Sections ◽  
Photon Absorption ◽  
Absorption Cross ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Donor Acceptor

Decorating diketopyrrolopyrroles with strongly electron-rich heterocycles led to donor–acceptor–donor architectures possessing two-photon brightness 850–1900 GM.

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