The spectroscopic parameters of sodium cyanide, NaCN (X 1A′), revisited

Holger S P Müller, D. T. Halfen, Lucy M Ziurys

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The study of the rotational spectrum of NaCN (X 1A′) has recently been extended in frequency and in quantum numbers. Difficulties have been encountered in fitting the transition frequencies within experimental uncertainties. Various trial fits traced the difficulties to the incomplete diagonalization of the Hamiltonian. Employing fewer spectroscopic parameters than before, the transition frequencies could be reproduced within experimental uncertainties on average. Predictions of a-type R-branch transitions with K a ≤ 7 up to 570 GHz should be reliable to better than 1 MHz. In addition, modified spectroscopic parameters have been derived for the 13C isotopic species of NaCN.

Original languageEnglish (US)
Pages (from-to)23-26
Number of pages4
JournalJournal of Molecular Spectroscopy
Volume272
Issue number1
DOIs
StatePublished - Feb 2012

Fingerprint

Sodium Cyanide
cyanides
sodium
Hamiltonians
rotational spectra
quantum numbers
predictions
Uncertainty

Keywords

  • Centrifugal distortion
  • Circumstellar molecule
  • Hamiltonian diagonalization
  • Rotational spectroscopy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

The spectroscopic parameters of sodium cyanide, NaCN (X 1A′), revisited. / Müller, Holger S P; Halfen, D. T.; Ziurys, Lucy M.

In: Journal of Molecular Spectroscopy, Vol. 272, No. 1, 02.2012, p. 23-26.

Research output: Contribution to journalArticle

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