A molecule with small rotational constants containing an atom with a large nuclear quadrupole moment: The microwave spectrum of trans-1-iodoperfluoropropane

C. T. Dewberry, G. S. Grubbs, S. A. Cooke

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Using pulsed jet chirped-pulse, and cavity-based Fourier transform microwave spectroscopies over 900 transitions have been recorded for the title molecule in the 1-4 GHz and 8-18 GHz regions. The C1, C2 and C3 carbon-13 species have been observed in natural abundance allowing a substitution structure for the CCC backbone to be determined. Nearly all the transitions observed were either a-type R branches or b-type Q branches. No c-type transitions were observed consistent with only the trans conformer being present under our experimental conditions. The χaa, χbb, χcc and χab components of the iodine nuclear quadrupole coupling tensor have been determined. Of note, several forbidden, Δ J ± 2 transitions, and one Δ J ± 3 transition were observed with quite reasonable intensity. These observations have been rationalized through considerations of near degeneracies between energy levels connected via a large χab value (≈1 GHz).

Original languageEnglish (US)
Pages (from-to)66-73
Number of pages8
JournalJournal of molecular spectroscopy
Volume257
Issue number1
DOIs
StatePublished - Sep 2009

Bibliographical note

Funding Information:
This work has been supported by a National Science Foundation Chemistry Research Instrumentation and Facilities: Instrument Development (CRIF:ID) award, CHE-0820833, and also a University of North Texas Faculty Research Grant. Calculations were performed on a cluster purchased with funds from NSF CHE-0741936.

Keywords

  • 1-Iodoperfluoropropane
  • Rotational spectroscopy

Fingerprint Dive into the research topics of 'A molecule with small rotational constants containing an atom with a large nuclear quadrupole moment: The microwave spectrum of trans-1-iodoperfluoropropane'. Together they form a unique fingerprint.

Cite this