scholarly journals Photoacidity as a tool to rationalize excited state intramolecular proton transfer reactivity in flavonols

2018 ◽  
Vol 17 (2) ◽  
pp. 231-238 ◽  
Author(s):  
Luís Gustavo Teixeira Alves Duarte ◽  
José Carlos Germino ◽  
Cláudia de Ávila Braga ◽  
Cristina Aparecida Barboza ◽  
Teresa Dib Zambon Atvars ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited States ◽  
Intramolecular Proton Transfer ◽  
Flavonol Derivatives ◽  
Proton Transfer Reactivity ◽  
Electronic Ground

Determination of acidic strengths at the electronic ground and excited states of flavonol derivatives.

Excited-state deactivation mechanisms of protonated and neutral phenylalanine: a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (37) ◽  
pp. 29032-29039
Author(s):  
Reza Omidyan ◽  
Mitra Ataelahi ◽  
Gholamhassan Azimi
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited States ◽  
Theoretical Study ◽  
Minimum Energy ◽  
Bond Stretching ◽  
Minimum Energy Paths ◽  
Electronic Ground

Minimum energy paths (MEPs) of protonated phenylalanine (PheH+) at the electronic ground and S1 (1ππ*) excited states along the Cα–Cβ bond stretching coordinate, following proton transfer to the aromatic chromophore.

Role of hydrogen in ground and excited state studies of 2-aryl-3-hydroxychromenones in different solvents

2019 ◽  
Vol 97 (8) ◽  
pp. 584-590
Author(s):  
Kulvir Kaur ◽  
Jyoti Tomar ◽  
Manisha Bansal
Keyword(s):  
Excited State ◽  
Excited States ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Intramolecular Proton Transfer ◽  
Radical Scavenger ◽  
Excitation Spectra ◽  
Tautomeric Forms

Radical scavenging activity (%SC) of three 2-heteroaryl 3-hydroxy chromenones (3-HCs) relative to 3-hydroxy flavones (3-HF) has been determined, using 2,2-diphenyl-1-picrylhydrazyl (DPPH) as a radical scavenger both in methanol (MeOH) and acetonitrile (ACN) as solvents. Among the three 3-HCs, 2-(furan-2-yl)-3-hydroxy-4 H-chromen-4-one (FHC), 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (THC), and 3-hydroxy-2-(pyrrol-2-yl)-4H-chromen-4-one (PHC), the last 3-HC was included in our earlier reported studies on absorption, emission, and excitation spectra. Detailed studies on the excited state intramolecular proton transfer (ESIPT) on PHC relative to other three 3-HCs have been given. Order of %SCs is PHC > FHC > THC > 3-HF in MeOH and PHC > FHC ≈ THC > 3-HF in ACN, which are similar to that of intensity ratio of normal and tautomeric forms (IN*/IT*). Both %SC and IN*/IT* depend upon the potential of hydrogen of 3-hydroxy in 3-HCs in their ground and excited states, respectively. It has been found that for PHC, IN*/IT* and %SC are distinctly high compared with other chromenones. It is concluded that the determination of %SC can be as important as IN*/IT* for these.

New excited state intramolecular proton transfer (ESIPT) dyes based on naphthalimide and observation of long-lived triplet excited states

2012 ◽  
Vol 48 (78) ◽  
pp. 9720 ◽  
Author(s):  
Jie Ma ◽  
Jianzhang Zhao ◽  
Pei Yang ◽  
Dandan Huang ◽  
Caishun Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited States ◽  
Intramolecular Proton Transfer ◽  
Triplet Excited States

scholarly journals Substitution pattern on anthrol carbaldehydes: excited state intramolecular proton transfer (ESIPT) with a lack of phototautomer fluorescence

2017 ◽  
Vol 19 (41) ◽  
pp. 28439-28449 ◽  
Author(s):  
S. Chaiwongwattana ◽  
Đ. Škalamera ◽  
N. Došlić ◽  
C. Bohne ◽  
N. Basarić
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Excited States ◽  
Intramolecular Proton Transfer ◽  
Dual Emission ◽  
Substitution Pattern ◽  
Locally Excited

Experiments and computations reveal that 1,2-disubstituted anthrol carbaldehydes are not ESIPT reactive, whereas 2,3-disubstituted anthrols undergo efficient barrierless ultrafast ESIPT, where the typical dual emission from locally excited states and tautomers was not observed.

Monitoring ultrafast intramolecular proton transfer processes in an unsymmetric β-diketone

2015 ◽  
Vol 17 (13) ◽  
pp. 8459-8466 ◽  
Author(s):  
Pramod Kumar Verma ◽  
Andreas Steinbacher ◽  
Federico Koch ◽  
Patrick Nuernberger ◽  
Tobias Brixner
Keyword(s):  
Proton Transfer ◽  
Excited States ◽  
Electronic Excitation ◽  
Intramolecular Proton Transfer ◽  
Transfer Processes ◽  
Electronic Ground

Electronic excitation of a UV-absorbing unsymmetric β-diketone discloses intramolecular proton transfer among electronic ground as well as excited states.

The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

2019 ◽  
Vol 219 ◽  
pp. 164-172 ◽  
Author(s):  
Songsong Liu ◽  
Yu Zhao ◽  
Changzhe Zhang ◽  
Lili Lin ◽  
Yongqing Li ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
The Novel ◽  
Intermolecular Hydrogen Bonds

scholarly journals An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone

2021 ◽  
Vol 154 (18) ◽  
pp. 184107
Author(s):  
Michele Nottoli ◽  
Mattia Bondanza ◽  
Filippo Lipparini ◽  
Benedetta Mennucci
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Enhanced Sampling

Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

1998 ◽  
Vol 19 (2) ◽  
pp. 129-138 ◽  
Author(s):  
Martin ?uma ◽  
Clifton Thompson ◽  
Steve Scheiner
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Atomic Substitution
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