Structures of protonated hydrogen sulfide clusters, H+(H2S): N, highlighting the nature of sulfur-centered intermolecular interactions

Dandan Wang, Asuka Fujii

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Unique intermolecular structures of protonated hydrogen sulfide clusters, H+(H2S)n, are revealed by infrared spectroscopy and ab initio calculations. The identified intermolecular structures are significantly different from those of the corresponding protonated water clusters, H+(H2O)n, in spite of the common hydrogen bond coordination ability between hydrogen sulfide and water. Protonated hydrogen sulfide clusters have the Eigen type ion core, H3S+, in the size range of n = 3-9. After the first hydrogen bonded shell formation is completed at n = 4, further solvation prefers a new shell bound by the charge-dipole interaction rather than the second hydrogen bonded shell. Thus, closely solvated structures, in which 7 molecules, at maximum, directly interact with the Eigen type ion core, are formed. The beginning of the second hydrogen bonded shell is found at n = 9. Competition among intermolecular interactions in H+(H2S)n is discussed.

Original languageEnglish
Pages (from-to)2036-2043
Number of pages8
JournalPhysical Chemistry Chemical Physics
Volume19
Issue number3
DOIs
Publication statusPublished - 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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