Picosecond Infrared Spectra of Isotope-Substituted 4-(Dimethylamino)benzonitriles and Molecular Structure of the Charge-Transfer Singlet Excited State

2001 ◽  
Vol 105 (17) ◽  
pp. 4182-4188 ◽  
Author(s):  
Hiromi Okamoto ◽  
Hironori Inishi ◽  
Yuko Nakamura ◽  
Shigeru Kohtani ◽  
Ryoichi Nakagaki
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Infrared Spectra ◽  
Singlet Excited State

scholarly journals Theoretical research on excited-state intramolecular proton coupled charge transfer modulated by molecular structure

RSC Advances ◽  
2018 ◽  
Vol 8 (52) ◽  
pp. 29662-29669
Author(s):  
Dapeng Yang ◽  
Guang Yang ◽  
Min Jia ◽  
Xiaoyan Song ◽  
Qiaoli Zhang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Energy Barrier ◽  
Theoretical Research ◽  
Small Energy

Charge transfer from O1 to O2 of 3HFN results in proton H1 transfer from O1 to O2 in S1 state, while small energy barrier facilitates proton H1 transfer from O1 to N1 in S1 state of diCN-HBO, which results in charge transfer from O1 to di-cyano.

The photocycloaddition of dibenzoylmethanatoboron difluoride (DBMBF2) with conjugated enones and en-esters

1993 ◽  
Vol 71 (6) ◽  
pp. 846-854 ◽  
Author(s):  
Yuan L. Chow ◽  
Shi-Sen Wang ◽  
Xian-En Cheng
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Ring Opening ◽  
Electron Donors ◽  
Head Orientation ◽  
Singlet Excited State ◽  
Methyl Substitution ◽  
Unsaturated Ketones ◽  
Dibenzoylmethanatoboron Difluoride

Dibenzoylmethanatoboron difluoride (DBMBF2), the BF2 complex of dibenzoylmethane, reacted from its singlet excited state with α,β-unsaturated ketones and esters to give 1,5-diketones by a [2+2] cycloaddition and ring-opening sequence in an analogous pathway to that observed in the photocycloaddition to olefins and dienes. The present photoreaction is unexpected since conjugated enones and en-esters are poor electron donors to comply with the previously proposed charge transfer requirement in DBMBF2 photoreactions. The photocycloaddition to these substrates was highly regioselective and stereoselective, giving the head-to-head orientation, which could be enhanced by α-methyl substitution; β-methyl substitution increased the alternate head-to-tail orientation. The photolysis of a mixture of DBMBF2 and a cyclic enone also caused the latter to dimerize to give head-to-head and head-to-tail dimers in significant yields. These photodimerizations were apparently caused by DBMBF2 sensitization. The mechanism of the sensitization is discussed.

Radiationless Deactivation of an Intramolecular Charge Transfer Excited State through Hydrogen Bonding:  Effect of Molecular Structure and Hard−Soft Anionic Character in the Excited State

2001 ◽  
Vol 105 (45) ◽  
pp. 10488-10496 ◽  
Author(s):  
Akimitsu Morimoito ◽  
Tomoyuki Yatsuhashi ◽  
Tetsuya Shimada ◽  
László Biczók ◽  
Donald A. Tryk ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Bonding Effect ◽  
Hydrogen Bonding Effect

scholarly journals Ingenious modification of molecular structure effectively regulates excited-state intramolecular proton and charge transfer: a theoretical study based on 3-hydroxyflavone

RSC Advances ◽  
2018 ◽  
Vol 8 (52) ◽  
pp. 29589-29597 ◽  
Author(s):  
Jianhui Han ◽  
Xiaochun Liu ◽  
Chaofan Sun ◽  
You Li ◽  
Hang Yin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Theoretical Study ◽  
Intramolecular Charge Transfer ◽  
Intramolecular Proton Transfer ◽  
Great Promise ◽  
Fluorescence Sensing

Harnessing ingenious modification of molecular structure to regulate excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) characteristics holds great promise in fluorescence sensing and imaging.

Excited-state proton coupled charge transfer modulated by molecular structure and media polarization

2013 ◽  
Vol 42 (3) ◽  
pp. 1379-1408 ◽  
Author(s):  
Alexander P. Demchenko ◽  
Kuo-Chun Tang ◽  
Pi-Tai Chou
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer

Etude spectroscopique de l'aniline dans les solvants

1975 ◽  
Vol 53 (10) ◽  
pp. 1461-1467 ◽  
Author(s):  
P. Méallier ◽  
A. Berthelon ◽  
B. Pouyet
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Excited State ◽  
Charge Transfer ◽  
Ground State ◽  
Aromatic Amines ◽  
Photochemical Oxidation ◽  
Transfer Effects ◽  
Absorption Bands ◽  
Oxidation Processes

The effect of change of solvent on the positions and intensities of absorption bands of some aromatic amines between 200 and 400 nm has been examined. In particular, the behavior of the band at 280 nm has been studied.In hydroxylic solvents, this band is displaced towards shorter wavelengths, and the dipole moment in the excited state of the molecule is smaller than in the ground state. The opposite effects are found when nonhydroxylic solvents are used.The results show how the molecular structure is altered by charge transfer effects and can explain how different solvents affect photochemical oxidation processes.

Spiroconjugated Intramolecular Charge-Transfer Emission in Non-Typical Spiroconjugated Molecules: The Effect of Molecular Structure upon the Excited-State Configuration

ChemPhysChem ◽  
2013 ◽  
Vol 14 (5) ◽  
pp. 982-989 ◽  
Author(s):  
Linna Zhu ◽  
Cheng Zhong ◽  
Cui Liu ◽  
Zhongyin Liu ◽  
Jingui Qin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
State Configuration

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

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