Intramolecular Charge-Transfer Interaction of Donor–Acceptor–Donor Arrays Based on Anthracene Bisimide

2016 ◽  
Vol 81 (10) ◽  
pp. 4076-4080 ◽  
Author(s):  
Tetsuo Iwanaga ◽  
Marina Ogawa ◽  
Tomokazu Yamauchi ◽  
Shinji Toyota
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Charge Transfer Interaction ◽  
Donor Acceptor

scholarly journals Intramolecular Charge-transfer Interaction in Substituted Diphenylmethanes

1973 ◽  
Vol 46 (11) ◽  
pp. 3614-3615 ◽  
Author(s):  
Hiroyasu Inoue ◽  
Yoichiro Mikami ◽  
Toshiji Yokotani
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Charge Transfer Interaction

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>

INTRAMOLECULAR CHARGE-TRANSFER INTERACTION BETWEEN LONE PAIR ELECTRONS AND π-ELECTRON SYSTEM

1977 ◽  
Vol 6 (9) ◽  
pp. 1047-1050 ◽  
Author(s):  
Kiyoshi Mutai ◽  
Keiji Kobayashi ◽  
Tsunetoshi Kobayashi ◽  
Chikatoshi Utsunomiya
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Lone Pair ◽  
Electron System ◽  
Charge Transfer Interaction ◽  
Lone Pair Electrons

Investigation of Charge-Transfer Interaction in Mixed Stack Donor–Acceptor Cocrystals Toward Tunable Solid-State Emission Characteristics

2018 ◽  
Vol 18 (10) ◽  
pp. 6001-6008 ◽  
Author(s):  
Rabia Usman ◽  
Arshad Khan ◽  
Mingliang Wang ◽  
Yi Luo ◽  
Weiwei Sun ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Emission Characteristics ◽  
Charge Transfer Interaction ◽  
Donor Acceptor
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