The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex:  Theoretical Studies in the Gas Phase and in Solution

Yongho Kim; Sangbae Lim; Yangsoo Kim

doi:10.1021/jp990398p

The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution

The Journal of Physical Chemistry A ◽

10.1021/jp990398p ◽

1999 ◽

Vol 103 (33) ◽

pp. 6632-6637 ◽

Cited By ~ 38

Author(s):

Yongho Kim ◽

Sangbae Lim ◽

Yangsoo Kim

Keyword(s):

Hydrogen Bond ◽

Proton Transfer ◽

Formic Acid ◽

Gas Phase ◽

Strong Hydrogen Bond ◽

Theoretical Studies ◽

Acid Complex ◽

Double Proton Transfer ◽

The Double Proton Transfer

Download Full-text

The formamidine–formic acid dimer: a theoretical examination of its equilibrium structure and of the double-proton-transfer process

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39910000080 ◽

1991 ◽

pp. 80-81 ◽

Cited By ~ 9

Author(s):

Israel Agranat ◽

Noel V. Riggs ◽

Leo Radom

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Transfer Process ◽

Equilibrium Structure ◽

Theoretical Examination ◽

Double Proton Transfer ◽

The Double Proton Transfer ◽

Proton Transfer Process

Download Full-text

Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b00595 ◽

2019 ◽

Vol 123 (19) ◽

pp. 4274-4283 ◽

Cited By ~ 3

Author(s):

Jarosław Zaklika ◽

Ludwik Komorowski ◽

Piotr Ordon

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Double Proton Transfer ◽

Acid Type ◽

The Double Proton Transfer

Download Full-text

Theoretical Study for Solvent Effect on the Potential Energy Surface for the Double Proton Transfer in Formic Acid Dimer and Formamidine Dimer

The Journal of Physical Chemistry A ◽

10.1021/jp9626226 ◽

1997 ◽

Vol 101 (12) ◽

pp. 2233-2239 ◽

Cited By ~ 45

Author(s):

Jae-Hyun Lim ◽

Eok Kyun Lee ◽

Yongho Kim

Keyword(s):

Potential Energy ◽

Proton Transfer ◽

Potential Energy Surface ◽

Formic Acid ◽

Solvent Effect ◽

Energy Surface ◽

Theoretical Study ◽

Double Proton Transfer ◽

The Double Proton Transfer

Download Full-text

Correlation Effects in the Double Proton Transfer of the Formic Acid Dimer

Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - Topics in Molecular Organization and Engineering ◽

10.1007/978-94-011-4894-8_9 ◽

1997 ◽

pp. 161-167

Author(s):

Henryk Chojnacki

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Correlation Effects ◽

Double Proton Transfer ◽

The Double Proton Transfer

Download Full-text

Direct Dynamics Calculation for the Double Proton Transfer in Formic Acid Dimer

Journal of the American Chemical Society ◽

10.1021/ja953175v ◽

1996 ◽

Vol 118 (6) ◽

pp. 1522-1528 ◽

Cited By ~ 98

Author(s):

Yongho Kim

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Direct Dynamics ◽

Double Proton Transfer ◽

Dynamics Calculation ◽

The Double Proton Transfer

Download Full-text

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex

The Journal of Chemical Physics ◽

10.1063/1.1792111 ◽

2004 ◽

Vol 121 (20) ◽

pp. 9971-9981 ◽

Cited By ~ 6

Author(s):

Ping Li ◽

Yuxiang Bu

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Acid Complex ◽

Double Proton Transfer ◽

Transfer Behavior ◽

Oxidation Effect

Download Full-text

Theoretical Study of the Double Proton Transfer in Hydrogen-Bonded Complexes in the Gas Phase and in Solution: Prototropic Tautomerization of Formamide

The Journal of Physical Chemistry A ◽

10.1021/jp983636+ ◽

1999 ◽

Vol 103 (5) ◽

pp. 617-624 ◽

Cited By ~ 29

Author(s):

Yangsoo Kim ◽

Sangbae Lim ◽

Hyun-Jin Kim ◽

Yongho Kim

Keyword(s):

Proton Transfer ◽

Gas Phase ◽

Theoretical Study ◽

Double Proton Transfer ◽

The Double Proton Transfer ◽

Bonded Complexes ◽

Hydrogen Bonded

Download Full-text

A reaction surface Hamiltonian treatment of the double proton transfer of formic acid dimer

The Journal of Chemical Physics ◽

10.1063/1.459734 ◽

1991 ◽

Vol 94 (5) ◽

pp. 3633-3643 ◽

Cited By ~ 118

Author(s):

Norihiro Shida ◽

Paul F. Barbara ◽

Jan Almlöf

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Reaction Surface ◽

Double Proton Transfer ◽

The Double Proton Transfer

Download Full-text

Molecular orbital study of proton transfer energetics in the active site of papain by using methanethiol-imidazole-formic acid complex as a model.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.29.918 ◽

1981 ◽

Vol 29 (4) ◽

pp. 918-925 ◽

Cited By ~ 2

Author(s):

HIDEAKI UMEYAMA ◽

SETSUKO NAKAGAWA

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Molecular Orbital ◽

Active Site ◽

Acid Complex ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

Tunnelling effects in the double proton transfer reaction of 2,5-dihydroxy-1,4-benzoquinone

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(91)80029-8 ◽

1991 ◽

Vol 236 (3-4) ◽

pp. 393-401 ◽

Cited By ~ 7

Author(s):

M.S. Topaler ◽

V.M. Mamaev ◽

Ye.B. Gluz ◽

V.I. Minkin ◽

B.Ya. Simkin

Keyword(s):

Proton Transfer ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Double Proton Transfer ◽

Tunnelling Effects ◽

The Double Proton Transfer

Download Full-text