The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study

The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study

© 2018 Elsevier B.V. The effect of intermolecular hydrogen bonding played by protic solvents (ammonia, methanol and water) on the excited state proton transfer (ESPT) reaction of 3-hydroxyflavone (3HF) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TD-DF...

Saved in:

書目詳細資料
Main Authors:	Rusrina Salaeh, Chanatkran Prommin, Warinthon Chansen, Khanittha Kerdpol, Rathawat Daengngern, Nawee Kungwan
格式:	雜誌
出版:	2018
主題:	Chemistry Materials Science Physics and Astronomy
在線閱讀:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85042007909&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/58463
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Chiang Mai University

相似書籍

Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives
由: Warinthon Chansen, et al.
出版: (2018)

Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives
由: Warinthon Chansen, et al.
出版: (2018)

Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulation
由: Rathawat Daengngern, et al.
出版: (2019)

Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study
由: Chattarika Sukpattanacharoen, et al.
出版: (2019)

Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study
由: Chanatkran Prommin, et al.
出版: (2020)

Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
由: Chanatkran Prommin, et al.
出版: (2018)

Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
由: Chanatkran Prommin, et al.
出版: (2018)

Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: Theoretical insights
由: Narissa Kanlayakan, et al.
出版: (2018)

Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: Theoretical insights
由: Narissa Kanlayakan, et al.
出版: (2018)

Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect
由: Rathawat Daengngern, et al.
出版: (2018)

Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect
由: Rathawat Daengngern, et al.
出版: (2018)

TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in Water
由: Natthaporn Manojai, et al.
出版: (2018)

TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in Water
由: Natthaporn Manojai, et al.
出版: (2018)

Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulation
由: Khanittha Kerdpol, et al.
出版: (2018)

Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulation
由: Khanittha Kerdpol, et al.
出版: (2018)

Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study
由: Natthaporn Manojai, et al.
出版: (2018)

Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study
由: Natthaporn Manojai, et al.
出版: (2018)

Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives
由: Chansen W., et al.
出版: (2017)

Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol
由: Rathawat Daengngern, et al.
出版: (2018)

Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol
由: Rathawat Daengngern, et al.
出版: (2018)

Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer
由: Rathawat Daengngern, et al.
出版: (2018)

Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> clusters in the gas phase
由: Nawee Kungwan, et al.
出版: (2018)

Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> clusters in the gas phase
由: Nawee Kungwan, et al.
出版: (2018)

Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: Theoretical insights
由: Kanlayakan N., et al.
出版: (2017)

A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT study
由: Naparat Jiwalak, et al.
出版: (2018)

TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in Water
由: Manojai N., et al.
出版: (2017)

Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
由: Prommin C., et al.
出版: (2017)

Theoretical insights into photoinduced proton transfer of 7-hydroxyquinoline via intermolecular hydrogen-bonded wire of mixed methanol and water
由: Khanittha Kerdpol, et al.
出版: (2018)

Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study
由: Manojai N., et al.
出版: (2017)

Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clusters
由: Rathawat Daengngern, et al.
出版: (2018)

Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clusters
由: Rathawat Daengngern, et al.
出版: (2018)

Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water–ammonia: microsolvated dynamics simulation
由: Kerdpol,K., et al.
出版: (2015)

Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol
由: Nawee Kungwan, et al.
出版: (2018)

Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol
由: Nawee Kungwan, et al.
出版: (2018)

Dynamics simulations of excited-state triple proton transfer in 7-azaindole complexes with water, water-methanol and methanol
由: Daengngern R., et al.
出版: (2014)

Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol
由: Daengngern R., et al.
出版: (2014)

Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d] pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT study
由: Marlina, Lala Adetia, et al.
出版: (2022)

Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transfer
由: Daengngern R., et al.
出版: (2017)

Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase
由: Kungwan N., et al.
出版: (2014)

Effect of number and different types of proton donors on excited-state intramolecular single and double proton transfer in bipyridine derivatives: Theoretical insights
由: Komsun Chaihan, et al.
出版: (2020)