The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations

Marie Aline Martin-Drumel, Joshua H. Baraban, P. Bryan Changala, John F. Stanton, Michael C. McCarthy

Research output: Contribution to journalReview articlepeer-review

7 Scopus citations

Abstract

Rotational spectroscopy is an invaluable tool to unambiguously determine the molecular structure of a species, and sometimes even to establish its very existence. This article illustrates how experimental and theoretical state-of-the-art tools can be used in tandem to investigate the rotational structure of molecules, with particular emphasis on those that have long remained elusive. The examples of three emblematic species—gauche-butadiene, disilicon carbide, and germanium dicarbide—highlight the close, mutually beneficial interaction between high-level theoretical calculations and sensitive microwave measurements. Prospects to detect other elusive molecules of chemical and astronomical interest are discussed.

Original languageEnglish
Pages (from-to)7243-7258
Number of pages16
JournalChemistry - A European Journal
Volume25
Issue number30
DOIs
StatePublished - 28 May 2019

Keywords

  • ab initio calculations
  • gas-phase reactions
  • quantum chemistry
  • rotational spectroscopy
  • structure elucidation

ASJC Scopus subject areas

  • Catalysis
  • Organic Chemistry

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