Microwave spectra and structure of the cyclopropanecarboxylic acid-formic acid dimer

Aaron M. Pejlovas, Wei Lin, Stephen G Kukolich

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The rotational spectrum of the cyclopropanecarboxylic acid-formic acid doubly hydrogen bonded dimer has been measured in the 4-11 GHz region using a Flygare-Balle type pulsed-beam Fourier transform microwave spectrometer. Rotational transitions were measured for the parent, four unique singly substituted 13C isotopologues, and a singly deuterated isotopologue. Splittings due to a possible concerted double proton tunneling motion were not observed. Rotational constants (A, B, and C) and centrifugal distortion constants (DJ and DJK) were determined from the measured transitions for the dimer. The values of the rotational (in MHz) and centrifugal distortion constants (in kHz) for the parent isotopologue are A = 4045.4193(16), B = 740.583 80(14), C = 658.567 60(23), DJ = 0.0499(16), and DJK = 0.108(14). A partial gas phase structure of the dimer was derived from the rotational constants of the measured isotopologues, previous structural work on each monomer units and results of the calculations.

Original languageEnglish (US)
Article number124311
JournalThe Journal of Chemical Physics
Volume143
Issue number12
DOIs
StatePublished - Sep 28 2015

Fingerprint

formic acid
microwave spectra
Dimers
Microwaves
dimers
acids
Microwave spectrometers
Phase structure
microwave spectrometers
Protons
Hydrogen
Fourier transforms
rotational spectra
Monomers
Gases
monomers
vapor phases
protons
cyclopropanecarboxylic acid
hydrogen

ASJC Scopus subject areas

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

Cite this

Microwave spectra and structure of the cyclopropanecarboxylic acid-formic acid dimer. / Pejlovas, Aaron M.; Lin, Wei; Kukolich, Stephen G.

In: The Journal of Chemical Physics, Vol. 143, No. 12, 124311, 28.09.2015.

Research output: Contribution to journalArticle

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