Millimeterwave Spectrum and Centrifugal Distortion Analysis of Fluoroacetonitrile in the Ground State

Abstract

The millimeterwave spectrum of fluoroacetonitrile (CH:FCN) in the ground state has been investigated in the region between 50 and 150 GHz. The transitions have been fitted to a Hamil tonian using three rotational constants, five quartic and seven sextic centrifugal distortion constants in the symmetric top reduction by van Eijck and Typke and in the s-reduction of Watson. Further Watson's "determinable constants" have been calculated.M illim e te rw a v e S p e c tr u m a n d C e n tr if u g a l D i s t o r t i o n A n a ly s is o f F lu o ro a c e to n itr ile in th e G r o u n d S t a t e

Rovibrational Study of the CH2 Wagging Fundamental of Monofluoroacetonitrile

“…Rotational spectra in the microwave and later in the millimeter-wave regions gradually improved the rotational and the centrifugal distortion constants of the ground state up to the sextic terms (1)(2)(3)(4). Liquid Raman and infrared spectra of this compound along with another three monohaloacetonitriles were first investigated by Jones and Orville-Thomas (5); vapor-phase low-resolution infrared spectra were also reported in the region 500-3000 cm −1 .…”

Pure Rotational Spectroscopy of the CH2CN Radical Extended to the Sub-Millimeter Wave Spectral Region

“…[3] de Zafra, Mallinson and de Zafra, and Creswell et al [4] Saito and Yamamoto and this work. [5] Guarnieri and Tolkmit . [6] Tanaka et al [7] Saykally et al [8] derived from Tyler and Sheridan .…”

“…[5] Guarnieri and Tolkmit. 75 [6] Tanaka et al 76 [7] Saykally et al 77 [8] derived from Tyler and Sheridan. 71 [9] Jones and Typke.…”

Microwave and Millimeterwave Spectrum of Monofluoracetonitrile-15N (CH2FC15N). A Contribution to Molecular Structure

“…She ridan [1], These authors considered low J lines in the frequency range up to 30 G H z only. A further investi gation in the millimeter range has been performed in this laboratory [2] to get detailed inform ations about quartic and sextic centrifugal distortion terms. In the present work, following similar criteria as in [2], the millimeterwave and microwave spectrum of C H 2F C 15N has been investigated and 123 lines have been measured and assigned.…”

“…A further investi gation in the millimeter range has been performed in this laboratory [2] to get detailed inform ations about quartic and sextic centrifugal distortion terms. In the present work, following similar criteria as in [2], the millimeterwave and microwave spectrum of C H 2F C 15N has been investigated and 123 lines have been measured and assigned. These lines have been fitted using both the H am iltonian of van Eijck-Typke and of W atson's symmetric top reduction.…”