TY - JOUR
T1 - Influence of the microsolvation on hemibonded and protonated hydrogen sulfide
T2 - Infrared spectroscopy of [(H2S):N(X)1]+ and H+(H2S)n(X)1 (n = 1 and 2, X = water, methanol, and ethanol)
AU - Hattori, Keigo
AU - Wang, Dandan
AU - Fujii, Asuka
N1 - Funding Information:
We would like to acknowledge Dr Toshihiko Maeyama and Dr Yoshiyuki Matsuda for their helpful discussions. This study was partly supported by a Grant-in-Aid for Scientific Research (Project No. 18H01931) from JSPS.
Publisher Copyright:
© 2019 the Owner Societies.
PY - 2019
Y1 - 2019
N2 - Changes of the excess charge accommodation motif in hemibonded and protonated hydrogen sulfide by microsolvation are studied by infrared spectroscopy of [(H2S)n(X)1]+ and H+(H2S)n(X)1 (n = 1 and 2, X = water, methanol, and ethanol) clusters. While the hemibond in the (H2S)2+ ion core is stable to the microhydration by a single water molecule, the hemibond is broken by the proton transfer with the microsolvation by a single methanol or ethanol molecule. Hetero hemibond formation between hydrogen sulfide and these solvent molecules is not observed. On the other hand, the excess proton in H+(H2S)n can be easily transferred to the solvent molecule, even though the proton affinity of the solvent molecule is lower than that of hydrogen sulfide. Implications of these results to the charge accommodation by sulfur under the biological conditions are discussed.
AB - Changes of the excess charge accommodation motif in hemibonded and protonated hydrogen sulfide by microsolvation are studied by infrared spectroscopy of [(H2S)n(X)1]+ and H+(H2S)n(X)1 (n = 1 and 2, X = water, methanol, and ethanol) clusters. While the hemibond in the (H2S)2+ ion core is stable to the microhydration by a single water molecule, the hemibond is broken by the proton transfer with the microsolvation by a single methanol or ethanol molecule. Hetero hemibond formation between hydrogen sulfide and these solvent molecules is not observed. On the other hand, the excess proton in H+(H2S)n can be easily transferred to the solvent molecule, even though the proton affinity of the solvent molecule is lower than that of hydrogen sulfide. Implications of these results to the charge accommodation by sulfur under the biological conditions are discussed.
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U2 - 10.1039/c9cp03159f
DO - 10.1039/c9cp03159f
M3 - Article
C2 - 31259331
AN - SCOPUS:85069922713
SN - 1463-9076
VL - 21
SP - 16064
EP - 16074
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 29
ER -