NH3 and PH3 molecular quadrupole moments and the signs of molecular g-values

J. Combariza; W. R. Salzman; S. G. Kukolich

doi:10.1016/0009-2614(90)85478-U

NH₃ and PH₃ molecular quadrupole moments and the signs of molecular g-values

J. Combariza, W. R. Salzman, S. G. Kukolich

Chemistry and Biochemistry

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Abstract

Molecular Zeeman effect data for NH₃ and PH₃ was reviewed and reanalyzed to obtain molecular quadrupole moments. Since the signs of molecular g-values were not directly measured, molecular quadrupole moments were also calculated using ab initio SCF programs to remove ambiguities in the signs of g-values. For NH₃, Q_cc (measured) = -3.4(4) buckingham and Q_cc (calculated) = -2.8 buckingham. For PH₃, Q_cc (measured) = -2.3(12) buckingham and Q_cc (calculated) = -2.4 buckingham. These values support positive g-values for NH₃ (g_aa=g_bb=0.568(2), g_cc=0.500(2)), and for PH₃ g_aa=g_bb=-0.325(9), and g_cc=0.011(1).

Original language	English (US)
Pages (from-to)	607-608
Number of pages	2
Journal	Chemical Physics Letters
Volume	167
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(90)85478-U
State	Published - Apr 13 1990

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "NH3 and PH3 molecular quadrupole moments and the signs of molecular g-values",

abstract = "Molecular Zeeman effect data for NH3 and PH3 was reviewed and reanalyzed to obtain molecular quadrupole moments. Since the signs of molecular g-values were not directly measured, molecular quadrupole moments were also calculated using ab initio SCF programs to remove ambiguities in the signs of g-values. For NH3, Qcc (measured) = -3.4(4) buckingham and Qcc (calculated) = -2.8 buckingham. For PH3, Qcc (measured) = -2.3(12) buckingham and Qcc (calculated) = -2.4 buckingham. These values support positive g-values for NH3 (gaa=gbb=0.568(2), gcc=0.500(2)), and for PH3 gaa=gbb=-0.325(9), and gcc=0.011(1).",

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T1 - NH3 and PH3 molecular quadrupole moments and the signs of molecular g-values

AU - Combariza, J.

AU - Salzman, W. R.

AU - Kukolich, S. G.

PY - 1990/4/13

Y1 - 1990/4/13

N2 - Molecular Zeeman effect data for NH3 and PH3 was reviewed and reanalyzed to obtain molecular quadrupole moments. Since the signs of molecular g-values were not directly measured, molecular quadrupole moments were also calculated using ab initio SCF programs to remove ambiguities in the signs of g-values. For NH3, Qcc (measured) = -3.4(4) buckingham and Qcc (calculated) = -2.8 buckingham. For PH3, Qcc (measured) = -2.3(12) buckingham and Qcc (calculated) = -2.4 buckingham. These values support positive g-values for NH3 (gaa=gbb=0.568(2), gcc=0.500(2)), and for PH3 gaa=gbb=-0.325(9), and gcc=0.011(1).

AB - Molecular Zeeman effect data for NH3 and PH3 was reviewed and reanalyzed to obtain molecular quadrupole moments. Since the signs of molecular g-values were not directly measured, molecular quadrupole moments were also calculated using ab initio SCF programs to remove ambiguities in the signs of g-values. For NH3, Qcc (measured) = -3.4(4) buckingham and Qcc (calculated) = -2.8 buckingham. For PH3, Qcc (measured) = -2.3(12) buckingham and Qcc (calculated) = -2.4 buckingham. These values support positive g-values for NH3 (gaa=gbb=0.568(2), gcc=0.500(2)), and for PH3 gaa=gbb=-0.325(9), and gcc=0.011(1).

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

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ER -

NH₃ and PH₃ molecular quadrupole moments and the signs of molecular g-values

Abstract

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