scholarly journals Electronic Structures and Spectra of Pyridinyl Hetero Diradicals. Charge-transfer Interaction between Two Different Radicals

1973 ◽  
Vol 46 (3) ◽  
pp. 821-825 ◽  
Author(s):  
Michiya Itoh
Keyword(s):  
Charge Transfer ◽  
Electronic Structures ◽  
Charge Transfer Interaction

Calculations on the electronic structure and nonlinear second-order susceptibilities of fulleropyrrolidine–tetrathiafulvalene(C60PY–TTF) based on donor–bridge–acceptor dyads

2001 ◽  
Vol 79 (9) ◽  
pp. 1366-1375
Author(s):  
Wei Fu ◽  
Hong-Xing Zhang ◽  
Ji-Kang Feng ◽  
Wei Li
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Electronic Spectra ◽  
Electronic Structures ◽  
Second Order ◽  
Enhancing Effect ◽  
Charge Transfer Interaction ◽  
Indo Calculations ◽  
Equilibrium Geometries

The semiempirical INDO calculations were carried out to investigate the charge-transfer interaction and to evaluate the second-order nonlinear susceptibilities for a series of fulleropyrrolidine–tetrathiafulvalene(C60PY–TTF) dyads, C60PY, and C60PY-(CH=CH)n-TTF (n = 0–6). The equilibrium geometries, electronic structures, and UV–vis spectra of these C60PY–TTFs D–B–A dyads were determined by using ZINDO methods. On the basis of electronic spectra, we calculated the β for the dyads using the ZINDO-SOS expression, and found that these dyads have relatively large β. The calculated values of β are 48.78, 62.34, 97.90, 123.24, 183.78, 189.43, 193.45, 195.82 × 10–30 esu for C60PY and C60PY-(CH=CH)n-TTF (n = 0–6), respectively, which shows the enhancing effect when TTF is introduced. The β significantly increases as n increases from 0–3; and it tends to be saturated in the end.Key words: ZINDO-SOS, CI, structure, spectra, C60PY–TTF.

Fluorescence Quenching of Aminodiphenylamines with Chloromethanes

2002 ◽  
Vol 67 (8) ◽  
pp. 1154-1164 ◽  
Author(s):  
Nachiappan Radha ◽  
Meenakshisundaram Swaminathan
Keyword(s):  
Charge Transfer ◽  
Fluorescence Quenching ◽  
Ground State ◽  
Rate Constants ◽  
Quenching Mechanism ◽  
Quenching Rate ◽  
Charge Transfer Interaction ◽  
Electronically Excited ◽  
A Charge

The fluorescence quenching of 2-aminodiphenylamine (2ADPA), 4-aminodiphenylamine (4ADPA) and 4,4'-diaminodiphenylamine (DADPA) with tetrachloromethane, chloroform and dichloromethane have been studied in hexane, dioxane, acetonitrile and methanol as solvents. The quenching rate constants for the process have also been obtained by measuring the lifetimes of the fluorophores. The quenching was found to be dynamic in all cases. For 2ADPA and 4ADPA, the quenching rate constants of CCl4 and CHCl3 depend on the viscosity, whereas in the case of CH2Cl2, kq depends on polarity. The quenching rate constants for DADPA with CCl4 are viscosity-dependent but the quenching with CHCl3 and CH2Cl2 depends on the polarity of the solvents. From the results, the quenching mechanism is explained by the formation of a non-emissive complex involving a charge-transfer interaction between the electronically excited fluorophores and ground-state chloromethanes.

scholarly journals Understanding contact electrification at liquid–solid interfaces from surface electronic structure

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Mingzi Sun ◽  
Qiuyang Lu ◽  
Zhong Lin Wang ◽  
Bolong Huang
Keyword(s):  
Charge Transfer ◽  
Electronic Structures ◽  
Electrochemical Cell ◽  
Cell Model ◽  
Electrostatic Charge ◽  
Direct Visualization ◽  
Solid Interface ◽  
Surface Electronic Structure ◽  
Contact Electrification ◽  
Triboelectric Nanogenerators

AbstractThe charge transfer phenomenon of contact electrification even exists in the liquid–solid interface by a tiny droplet on the solid surface. In this work, we have investigated the contact electrification mechanism at the liquid–solid interface from the electronic structures at the atomic level. The electronic structures display stronger modulations by the outmost shell charge transfer via surface electrostatic charge perturbation than the inter-bonding-orbital charge transfer at the liquid–solid interface, supporting more factors being involved in charge transfer via contact electrification. Meanwhile, we introduce the electrochemical cell model to quantify the charge transfer based on the pinning factor to linearly correlate the charge transfer and the electronic structures. The pinning factor exhibits a more direct visualization of the charge transfer at the liquid–solid interface. This work supplies critical guidance for describing, quantifying, and modulating the contact electrification induced charge transfer systems in triboelectric nanogenerators in future works.

Enantioselective Nucleophilic Aromatic Substitution Reaction of Azlactones to Synthesize Quaternary α-Amino Acid Derivatives

Synlett ◽  
2020 ◽  
Author(s):  
Xiaohua Liu ◽  
Yi Li ◽  
Hao Pan ◽  
Wang-Yuren Li ◽  
Xiaoming Feng
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Amino Acid ◽  
Substitution Reaction ◽  
Nucleophilic Aromatic Substitution ◽  
Amino Acid Derivatives ◽  
Amino Acid Esters ◽  
Aromatic Substitution ◽  
Charge Transfer Interaction ◽  
Acid Esters

AbstractAn asymmetric organocatalytic nucleophilic aromatic substitution reaction of azlactones with electron-deficient aryls was established. A variety of α-aryl α-alkyl α-amino acid esters and peptides were obtained in decent yields and stereoselectivities. A new bifunctional catalytic mode involving charge-transfer interaction and hydrogen bonding is proposed to explain the enantioselectivity.

scholarly journals Color-tunable arylaminoanthraquinone dyes through hydrogen-bond-assisted charge transfer interaction

RSC Advances ◽  
2021 ◽  
Vol 11 (39) ◽  
pp. 24217-24231
Author(s):  
Takashi Takeda ◽  
Yotaro Kasahara ◽  
Tomoyuki Akutagawa
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Charge Transfer Interaction ◽  
Color Tunable

A color-tunable anthraquinone library based on arylaminoanthraquinone was prepared through hydrogen-bond-assisted charge transfer interaction.

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
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