Electronic delocalization in small water rings

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

16 Scopus Citations
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Author(s)

  • Bo Wang
  • Minsi Xin
  • Xing Dai
  • Ruixia Song
  • Yan Meng
  • Jie Han
  • Wanrun Jiang
  • Zhigang Wang

Related Research Unit(s)

Detail(s)

Original languageEnglish
Pages (from-to)2987-2990
Journal / PublicationPhysical Chemistry Chemical Physics
Volume17
Issue number5
Publication statusPublished - 7 Feb 2015

Abstract

Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of small water clusters such as (H2O)n with n = 3 or 4 involves strong electron delocalization. Our first-principles calculations reveal that the electron delocalization originates from both the H and O atomic orbitals and extends to the ring center, enriching the bonding characteristics of water clusters.

Citation Format(s)

Electronic delocalization in small water rings. / Wang, Bo; Xin, Minsi; Dai, Xing et al.
In: Physical Chemistry Chemical Physics, Vol. 17, No. 5, 07.02.2015, p. 2987-2990.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review