Conjugated Donor−Acceptor Copolymer Semiconductors with Large Intramolecular Charge Transfer:  Synthesis, Optical Properties, Electrochemistry, and Field Effect Carrier Mobility of Thienopyrazine-Based Copolymers

2006 ◽  
Vol 39 (25) ◽  
pp. 8712-8719 ◽  
Author(s):  
Yan Zhu ◽  
Richard D. Champion ◽  
Samson A. Jenekhe
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Field Effect ◽  
Carrier Mobility ◽  
Intramolecular Charge Transfer ◽  
Donor Acceptor

scholarly journals Photo-induced intramolecular charge transfer in an ambipolar field-effect transistor based on a π-conjugated donor–acceptor dyad

2013 ◽  
Vol 1 (25) ◽  
pp. 3985 ◽  
Author(s):  
Raphael Pfattner ◽  
Egon Pavlica ◽  
Michael Jaggi ◽  
Shi-Xia Liu ◽  
Silvio Decurtins ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Field Effect ◽  
Field Effect Transistor ◽  
Intramolecular Charge Transfer ◽  
Donor Acceptor ◽  
Effect Transistor

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>

Effects of molecular geometry on the efficiency of intramolecular charge transfer–based luminescence in o-carboranyl-substituted 1H-phenanthro[9,10-d]imidazoles

2022 ◽  
Author(s):  
Sehee Im ◽  
Chan Hee Ryu ◽  
Mingi Kim ◽  
Dong Kyun You ◽  
Sanghee Yi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Phenyl Ring ◽  
Intramolecular Charge Transfer ◽  
Molecular Geometry

Herein, we compared the optical properties of four compounds with an o-carborane cage linked to 1H-phenanthro[9,10-d]imidazole at the ortho- (oPC), meta- (mPC), or para-position (pPC) of the 2-phenyl ring or...

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