TY - JOUR
T1 - Intermolecular proton-transfer in acetic acid clusters induced by vacuum-ultraviolet photoionization
AU - Ohta, Keisuke
AU - Matsuda, Yoshiyuki
AU - Mikami, Naohiko
AU - Fujii, Asuka
N1 - Funding Information:
We thank Dr. T. Maeyama, M. Hachiya, and A. Yamada for their helpful discussions. We also appreciate Professor K. Ohno and Dr. S. Maeda for their helpful guidance of the GRRM 1.0 program. This work was supported by Grant-in-Aid for Young Scientists and Scientific Research (KAKENHI) (Grant Nos. 20750002, 19205001, and 20550005) from the JSPS, the Grant-in-Aid for Scientific Research on Priority Areas “Molecular Science for Supra Functional Systems” [477] from MEXT, Japan, a Research Grant from the Human Frontier Science Program (Grant No. RGY82/2008), and the Mitsubishi Foundation.
PY - 2009
Y1 - 2009
N2 - Infrared (IR) spectroscopy based on vacuum-ultraviolet one-photon ionization detection was carried out to investigate geometric structures of neutral and cationic clusters of acetic acid: (CH3COOH)2, CH3COOH-CH3OH, and CH3COOH-H2O. All the neutral clusters have cyclic-type intermolecular structures, in which acetic acid and solvent molecules act as both hydrogen donors and acceptors, and two hydrogen-bonds are formed. On the other hand, (CH3COOH) 2+ and (CH3COOH-CH3OH)+ form proton-transferred structures, where the acetic acid moiety donates the proton to the counter molecule. (CH3COOH-H2O)+ has a non-proton-transferred structure, where CH3COOH+ and H2O are hydrogen-bonded. The origin of these structural differences among the cluster cations is discussed with the relative sizes of the proton affinities of the cluster components and the potential energy curves along the proton-transfer coordinate.
AB - Infrared (IR) spectroscopy based on vacuum-ultraviolet one-photon ionization detection was carried out to investigate geometric structures of neutral and cationic clusters of acetic acid: (CH3COOH)2, CH3COOH-CH3OH, and CH3COOH-H2O. All the neutral clusters have cyclic-type intermolecular structures, in which acetic acid and solvent molecules act as both hydrogen donors and acceptors, and two hydrogen-bonds are formed. On the other hand, (CH3COOH) 2+ and (CH3COOH-CH3OH)+ form proton-transferred structures, where the acetic acid moiety donates the proton to the counter molecule. (CH3COOH-H2O)+ has a non-proton-transferred structure, where CH3COOH+ and H2O are hydrogen-bonded. The origin of these structural differences among the cluster cations is discussed with the relative sizes of the proton affinities of the cluster components and the potential energy curves along the proton-transfer coordinate.
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U2 - 10.1063/1.3257686
DO - 10.1063/1.3257686
M3 - Article
C2 - 19916601
AN - SCOPUS:72949108417
SN - 0021-9606
VL - 131
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 18
M1 - 184304
ER -