ChemInform Abstract: The Rotational Spectrum of Acetone: Deuterated Species, Internal Rotation, and Structure

Vacherand, J. M.; Eijck, B.P. van; Burie, J.; Demaison, J.

doi:10.1002/chin.198708055

Cited by 1 publication

(1 citation statement)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[25]. XIAM uses the internal axes method given by Woods [26,271 and modified by Vacherand et al [28]. We used the model of an asymmetric top molecule with an asymmetric frame and a symmetric internal rotor with a threefold barrier.…”

Section: Spectral Analysismentioning

confidence: 99%

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects

1999

View full text Add to dashboard Cite

The high resolution microwave spectrum of o-tolunitrile (o-CH3C6H4CN) has been investigated in the torsional ground state in the frequency range 8-18GHz by molecular beam Fourier transform microwave spectroscopy. Results include a I4N quadrupole hyperfine interaction, a fourth-order centrifugal distortion, and a methyl internal rotation analysis. Effects of centrifugal distortion on the internal rotation were included, yielding a standard deviation of the fit of the order of the experimental uncertainty. The structural rotational constants were determined to be A = 2891.6469 (5) MHz, B = 1499.8809(1) MHz, and C = 993.521 70(6) MHz. Furthermore, analysis of the hyperfine structure of the rotational lines yielded the nitrogen quadrupole coupling constants xoa = -4.094(2) MHz and xhb -xcc = 0.191 (6) MHz. The threefold barrier for internal rotation of the methyl group was V 3 = 187.699(3) cm-' and the angle between the internal rotor axis and the principal a axis was 0 = 53.591(2)". The internal rotation parameters are in good agreement with published results of Jaman et al.

show abstract

Section: Spectral Analysismentioning

confidence: 99%

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects

1999

View full text Add to dashboard Cite

show abstract

ChemInform Abstract: The Rotational Spectrum of Acetone: Deuterated Species, Internal Rotation, and Structure

Abstract: 055ChemInform Abstract (CH3COCH2D, CD3COCD2H and CD3COCD3 are investigated).

Cited by 1 publication

References 1 publication

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects

Contact Info

Product

Resources

About

ChemInform Abstract: The Rotational Spectrum of Acetone: Deuterated Species, Internal Rotation, and Structure

Abstract: 055ChemInform Abstract (CH3COCH2D, CD3COCD2H and CD3COCD3 are investigated).

Cited by 1 publication

References 1 publication

A molecular beam Fourier transform microwave study of0-tolunitrile:14N nuclear quadrupole coupling and methyl internal rotation effects

A molecular beam Fourier transform microwave study of0-tolunitrile:14N nuclear quadrupole coupling and methyl internal rotation effects

Contact Info

Product

Resources

About

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects

A molecular beam Fourier transform microwave study of0-tolunitrile:¹⁴N nuclear quadrupole coupling and methyl internal rotation effects