An ab initio theoretical prediction: An antiaromatic ring π-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH⋯C4H4⋯HF

Di Wu, Zhi Ru Li, Xi Yun Hao, A. F. Jalbout, L. Adamowicz, Ru Jiao Li, Chia Chung Sun

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

Hydrogen bonds have attracted much attention because of their important roles in chemistry and biology. With progress in the study on the hydrogen bond, a number of unusual hydrogen bonds were proposed during the past few decades. This paper aims at exhibiting a kind of new ring π-H bond complex with a "wheel with a pair of pedals" shaped (1|1) structure and revealing the properties of antiaromatic ring π dihydrogen bond and two secondary interactions accompanying it, and enriching the knowledge on novel weak interactions in an exciting part of chemistry.

Original languageEnglish (US)
Pages (from-to)1330-1335
Number of pages6
JournalJournal of Chemical Physics
Volume120
Issue number3
DOIs
StatePublished - Jan 15 2004

ASJC Scopus subject areas

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

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