The rotational spectrum and structure of NH3-HCN

G. T. Fraser; K. R. Leopold; D. D. Nelson; A. Tung; W. Klemperer

doi:10.1063/1.447119

The rotational spectrum and structure of NH₃-HCN

G. T. Fraser, K. R. Leopold, D. D. Nelson, A. Tung, W. Klemperer

Chemistry (Twin Cities)

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Abstract

The microwave spectrum of H₃N-HCN has been measured using the molecular beam electric resonance technique. A symmetric top spectrum is observed and the following spectroscopic constants were obtained: B ₀(MHz) 3016.756 1(24) D_J(kHz) 5.68(30) D_JK(Mhz) 0.418 22(76) eQq₁+eQq₂/2(MHz) -3.929 4(46) eQq ₁-eQq₂/2(MHz) -0.584(16) μ(D) 5.260 8(55) eQq ₁ and eQq₂ are the quadrupole coupling constants associated with the ¹⁴N nuclei of HCN and NH₃, respectively. The induced dipole moment is 0.939(12) D and the N-H weak bond length is 2.156(10)Å. The average bending angle of the NH₃ subunit is 20.40(26)° while that of the HCN subunit is 9.56(37)°. The force constant for the weak bond stretch is 0.122(6) mdyn/Å corresponding to a stretching frequency of 141(3) cm^-1.

Original language	English (US)
Pages (from-to)	3073-3077
Number of pages	5
Journal	The Journal of chemical physics
Volume	80
Issue number	7
DOIs	https://doi.org/10.1063/1.447119
State	Published - 1984

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title = "The rotational spectrum and structure of NH3-HCN",

abstract = "The microwave spectrum of H3N-HCN has been measured using the molecular beam electric resonance technique. A symmetric top spectrum is observed and the following spectroscopic constants were obtained: B 0(MHz) 3016.756 1(24) DJ(kHz) 5.68(30) DJK(Mhz) 0.418 22(76) eQq1+eQq2/2(MHz) -3.929 4(46) eQq 1-eQq2/2(MHz) -0.584(16) μ(D) 5.260 8(55) eQq 1 and eQq2 are the quadrupole coupling constants associated with the 14N nuclei of HCN and NH3, respectively. The induced dipole moment is 0.939(12) D and the N-H weak bond length is 2.156(10){\AA}. The average bending angle of the NH3 subunit is 20.40(26)° while that of the HCN subunit is 9.56(37)°. The force constant for the weak bond stretch is 0.122(6) mdyn/{\AA} corresponding to a stretching frequency of 141(3) cm-1.",

author = "Fraser, {G. T.} and Leopold, {K. R.} and Nelson, {D. D.} and A. Tung and W. Klemperer",

year = "1984",

doi = "10.1063/1.447119",

language = "English (US)",

volume = "80",

pages = "3073--3077",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

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TY - JOUR

T1 - The rotational spectrum and structure of NH3-HCN

AU - Fraser, G. T.

AU - Leopold, K. R.

AU - Nelson, D. D.

AU - Tung, A.

AU - Klemperer, W.

PY - 1984

Y1 - 1984

N2 - The microwave spectrum of H3N-HCN has been measured using the molecular beam electric resonance technique. A symmetric top spectrum is observed and the following spectroscopic constants were obtained: B 0(MHz) 3016.756 1(24) DJ(kHz) 5.68(30) DJK(Mhz) 0.418 22(76) eQq1+eQq2/2(MHz) -3.929 4(46) eQq 1-eQq2/2(MHz) -0.584(16) μ(D) 5.260 8(55) eQq 1 and eQq2 are the quadrupole coupling constants associated with the 14N nuclei of HCN and NH3, respectively. The induced dipole moment is 0.939(12) D and the N-H weak bond length is 2.156(10)Å. The average bending angle of the NH3 subunit is 20.40(26)° while that of the HCN subunit is 9.56(37)°. The force constant for the weak bond stretch is 0.122(6) mdyn/Å corresponding to a stretching frequency of 141(3) cm-1.

AB - The microwave spectrum of H3N-HCN has been measured using the molecular beam electric resonance technique. A symmetric top spectrum is observed and the following spectroscopic constants were obtained: B 0(MHz) 3016.756 1(24) DJ(kHz) 5.68(30) DJK(Mhz) 0.418 22(76) eQq1+eQq2/2(MHz) -3.929 4(46) eQq 1-eQq2/2(MHz) -0.584(16) μ(D) 5.260 8(55) eQq 1 and eQq2 are the quadrupole coupling constants associated with the 14N nuclei of HCN and NH3, respectively. The induced dipole moment is 0.939(12) D and the N-H weak bond length is 2.156(10)Å. The average bending angle of the NH3 subunit is 20.40(26)° while that of the HCN subunit is 9.56(37)°. The force constant for the weak bond stretch is 0.122(6) mdyn/Å corresponding to a stretching frequency of 141(3) cm-1.

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The rotational spectrum and structure of NH₃-HCN

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