Theoretical Investigation on the Substituent Effect of Halogen Atom on the Ground-State Double Proton Transfer in the 2-Pyridone-Solvent (Solvent: H2
O, NH3
) Complexes

Mei Ni; Hua Fang

doi:10.1002/slct.201802647

Theoretical Investigation on the Substituent Effect of Halogen Atom on the Ground-State Double Proton Transfer in the 2-Pyridone-Solvent (Solvent: H2 O, NH3 ) Complexes

ChemistrySelect ◽

10.1002/slct.201802647 ◽

2019 ◽

Vol 4 (4) ◽

pp. 1316-1322 ◽

Cited By ~ 1

Author(s):

Mei Ni ◽

Hua Fang

Keyword(s):

Proton Transfer ◽

Theoretical Investigation ◽

Ground State ◽

Substituent Effect ◽

Halogen Atom ◽

Double Proton Transfer ◽

Solvent Solvent

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Theoretical investigation of excited-state single and double proton transfer mechanisms for 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol

Dyes and Pigments ◽

10.1016/j.dyepig.2017.02.047 ◽

2017 ◽

Vol 141 ◽

pp. 441-447 ◽

Cited By ~ 21

Author(s):

Jin-Dou Huang ◽

Kun Yu ◽

Huipeng Ma ◽

Shuo Chai ◽

Bin Dong

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Double Proton Transfer ◽

Transfer Mechanisms

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Double-Proton-Transfer Processes in Dithiooxamide: UV-Induced Dithione → Dithiol Reaction and Ground-State Dithiol → Dithione Tunneling

The Journal of Physical Chemistry A ◽

10.1021/jp049263w ◽

2004 ◽

Vol 108 (26) ◽

pp. 5551-5558 ◽

Cited By ~ 13

Author(s):

Leszek Lapinski ◽

Hanna Rostkowska ◽

Artem Khvorostov ◽

Müjgan Yaman ◽

Rui Fausto ◽

...

Keyword(s):

Proton Transfer ◽

Ground State ◽

Transfer Processes ◽

Double Proton Transfer

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Deuterium isotope effects of excited-state and ground-state double-proton-transfer processes of the 7-azaindole H-bonded dimer in 3-methylpentane

The Journal of Physical Chemistry ◽

10.1021/j100402a023 ◽

1986 ◽

Vol 90 (11) ◽

pp. 2362-2366 ◽

Cited By ~ 33

Author(s):

Kunihiro Tokumura ◽

Yukari Watanabe ◽

Michiya Itoh

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ground State ◽

Isotope Effects ◽

Transfer Processes ◽

Double Proton Transfer ◽

Deuterium Isotope Effects

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Correction to: Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

Journal of Molecular Modeling ◽

10.1007/s00894-017-3506-6 ◽

2017 ◽

Vol 23 (12) ◽

Author(s):

Jiacheng Yi ◽

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Substituent Effect ◽

Excited State Proton Transfer

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ChemInform Abstract: Deuterium Isotope Effects of Excited-State and Ground-State Double-Proton-Transfer Processes of the 7-Azaindole H-Bonded Dimer in 3-Methylpentane.

Chemischer Informationsdienst ◽

10.1002/chin.198641050 ◽

1986 ◽

Vol 17 (41) ◽

Author(s):

K. TOKUMURA ◽

Y. WATANABE ◽

M. ITOH

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ground State ◽

Isotope Effects ◽

Transfer Processes ◽

Double Proton Transfer ◽

Deuterium Isotope Effects

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1,4- vs 1,3-Prototropic Mechanism for Intramolecular Double Proton Transfer Reaction in Monothiooxalic Acid. Theoretical Investigation of Potential Energy Surface

The Journal of Physical Chemistry A ◽

10.1021/jp052782u ◽

2005 ◽

Vol 109 (42) ◽

pp. 9646-9652 ◽

Cited By ~ 5

Author(s):

Christophe Raynaud ◽

Jean-Pierre Daudey ◽

Laurent Maron ◽

Franck Jolibois

Keyword(s):

Potential Energy ◽

Proton Transfer ◽

Potential Energy Surface ◽

Theoretical Investigation ◽

Transfer Reaction ◽

Energy Surface ◽

Proton Transfer Reaction ◽

Double Proton Transfer

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Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

Journal of Molecular Modeling ◽

10.1007/s00894-017-3487-5 ◽

2017 ◽

Vol 23 (11) ◽

Cited By ~ 3

Author(s):

Jiacheng Yi ◽

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Substituent Effect ◽

Excited State Proton Transfer

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Theoretical investigation of thione-thiol tautomerism, intermolecular double proton transfer reaction and hydrogen bonding interactions in 4-ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.10.001 ◽

2013 ◽

Vol 1025 ◽

pp. 35-45 ◽

Cited By ~ 10

Author(s):

Namık Özdemir ◽

Deniz Türkpençe

Keyword(s):

Hydrogen Bonding ◽

Proton Transfer ◽

Theoretical Investigation ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Double Proton Transfer ◽

Hydrogen Bonding Interactions

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Deuteration effect on the NH/ND stretch band of the jet-cooled 7-azaindole and its tautomeric dimers: Relation between the vibrational relaxation and the ground-state double proton-transfer reaction

Chemical Physics ◽

10.1016/j.chemphys.2013.02.031 ◽

2013 ◽

Vol 419 ◽

pp. 101-106 ◽

Cited By ~ 6

Author(s):

Haruki Ishikawa ◽

Takumi Nakano ◽

Tsukiko Takashima ◽

Hiroki Yabuguchi ◽

Kiyokazu Fuke

Keyword(s):

Proton Transfer ◽

Ground State ◽

Vibrational Relaxation ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Double Proton Transfer

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A theoretical investigation on the excited state intramolecular single or double proton transfer mechanism of a salicyladazine system

Journal of the Chinese Chemical Society ◽

10.1002/jccs.201800490 ◽

2019 ◽

Vol 66 (11) ◽

pp. 1416-1421

Author(s):

Qiaoli Zhang ◽

Zhongjian Zhao ◽

Shibo Cheng ◽

Guang Yang ◽

Tianjie Zhang ◽

...

Keyword(s):

Excited State ◽

Proton Transfer ◽

Theoretical Investigation ◽

Transfer Mechanism ◽

Double Proton Transfer

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