Structure and quadrupole coupling measurements on ClF3

S. T. Haubrich; M. A. Roehrig; S. G. Kukolich

doi:10.1063/1.459611

Structure and quadrupole coupling measurements on ClF₃

S. T. Haubrich, M. A. Roehrig, S. G. Kukolich

Chemistry and Biochemistry

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11 Scopus citations

Abstract

Seventy-nine new microwave transitions for ³⁵ClF₃ and ³⁷ClF₃ in the 6-18 GHz range were measured using a Flygare-Balle-type spectrometer. Rotational transition frequencies were used to obtain "effective" structure parameters for the ground vibrational state z_Cl-F (along C₂ axis) = 1.5985(4) Å, r _Cl-F = 1.700 73(5) Å and Θ_F-Cl-F = 87.48(4)°. Analysis of hyperfine structure due to chlorine quadrupole coupling and observed transition frequencies yield the following molecular parameters for ³⁵ClF₃: A = 13 748.25(1) MHz, B = 4611.719(2) MHz, C = 3448.629(3) MHz, eQq_aa = 82.03(3) MHz, and eQq_bb = 65.35(2) MHz. Molecular parameters obtained for ³⁷ClF₃ are: A = 13 653.54(1) MHz, B = 4611.866(2) MHz, C = 3442.719(4) MHz, eQq_aa = 64.66(4) MHz, and eQq_bb = 51.53(3) MHz.

Original language	English (US)
Pages (from-to)	121-125
Number of pages	5
Journal	The Journal of chemical physics
Volume	93
Issue number	1
DOIs	https://doi.org/10.1063/1.459611
State	Published - 1990

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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@article{9c955bbe9c7e406eb4f8d5e7e7ad3bf1,

title = "Structure and quadrupole coupling measurements on ClF3",

abstract = "Seventy-nine new microwave transitions for 35ClF3 and 37ClF3 in the 6-18 GHz range were measured using a Flygare-Balle-type spectrometer. Rotational transition frequencies were used to obtain {"}effective{"} structure parameters for the ground vibrational state zCl-F (along C2 axis) = 1.5985(4) {\AA}, r Cl-F = 1.700 73(5) {\AA} and ΘF-Cl-F = 87.48(4)°. Analysis of hyperfine structure due to chlorine quadrupole coupling and observed transition frequencies yield the following molecular parameters for 35ClF3: A = 13 748.25(1) MHz, B = 4611.719(2) MHz, C = 3448.629(3) MHz, eQqaa = 82.03(3) MHz, and eQqbb = 65.35(2) MHz. Molecular parameters obtained for 37ClF3 are: A = 13 653.54(1) MHz, B = 4611.866(2) MHz, C = 3442.719(4) MHz, eQqaa = 64.66(4) MHz, and eQqbb = 51.53(3) MHz.",

author = "Haubrich, {S. T.} and Roehrig, {M. A.} and Kukolich, {S. G.}",

year = "1990",

doi = "10.1063/1.459611",

language = "English (US)",

volume = "93",

pages = "121--125",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "1",

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TY - JOUR

T1 - Structure and quadrupole coupling measurements on ClF3

AU - Haubrich, S. T.

AU - Roehrig, M. A.

AU - Kukolich, S. G.

PY - 1990

Y1 - 1990

N2 - Seventy-nine new microwave transitions for 35ClF3 and 37ClF3 in the 6-18 GHz range were measured using a Flygare-Balle-type spectrometer. Rotational transition frequencies were used to obtain "effective" structure parameters for the ground vibrational state zCl-F (along C2 axis) = 1.5985(4) Å, r Cl-F = 1.700 73(5) Å and ΘF-Cl-F = 87.48(4)°. Analysis of hyperfine structure due to chlorine quadrupole coupling and observed transition frequencies yield the following molecular parameters for 35ClF3: A = 13 748.25(1) MHz, B = 4611.719(2) MHz, C = 3448.629(3) MHz, eQqaa = 82.03(3) MHz, and eQqbb = 65.35(2) MHz. Molecular parameters obtained for 37ClF3 are: A = 13 653.54(1) MHz, B = 4611.866(2) MHz, C = 3442.719(4) MHz, eQqaa = 64.66(4) MHz, and eQqbb = 51.53(3) MHz.

AB - Seventy-nine new microwave transitions for 35ClF3 and 37ClF3 in the 6-18 GHz range were measured using a Flygare-Balle-type spectrometer. Rotational transition frequencies were used to obtain "effective" structure parameters for the ground vibrational state zCl-F (along C2 axis) = 1.5985(4) Å, r Cl-F = 1.700 73(5) Å and ΘF-Cl-F = 87.48(4)°. Analysis of hyperfine structure due to chlorine quadrupole coupling and observed transition frequencies yield the following molecular parameters for 35ClF3: A = 13 748.25(1) MHz, B = 4611.719(2) MHz, C = 3448.629(3) MHz, eQqaa = 82.03(3) MHz, and eQqbb = 65.35(2) MHz. Molecular parameters obtained for 37ClF3 are: A = 13 653.54(1) MHz, B = 4611.866(2) MHz, C = 3442.719(4) MHz, eQqaa = 64.66(4) MHz, and eQqbb = 51.53(3) MHz.

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JO - The Journal of chemical physics

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Structure and quadrupole coupling measurements on ClF₃

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