Dipole Moments and Potential Energies of the Alkaline Earth Monohalides from an Ionic Model

T. Törring; Wolfgang Ernst; S. Kindt

doi:10.1063/1.447394

Dipole Moments and Potential Energies of the Alkaline Earth Monohalides from an Ionic Model

T. Törring, Wolfgang Ernst, S. Kindt

Research output: Contribution to journal › Article › peer-review

Abstract

It is shown that the Rittner model is inadequate for the calculation of dipole moments for the alkaline earth monohalides. A modified model is proposed which takes into account explicitly the large charge shifts in the metal ions arising from the polarization. The new model is shown to give results consistent with available experimental data.

Original language	English
Pages (from-to)	4614-4619
Journal	The Journal of Chemical Physics
Volume	81
Issue number	10
DOIs	https://doi.org/10.1063/1.447394
Publication status	Published - 1984
Externally published	Yes

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@article{991202867dda4d3380ad23d0d260cd29,

title = "Dipole Moments and Potential Energies of the Alkaline Earth Monohalides from an Ionic Model",

abstract = "It is shown that the Rittner model is inadequate for the calculation of dipole moments for the alkaline earth monohalides. A modified model is proposed which takes into account explicitly the large charge shifts in the metal ions arising from the polarization. The new model is shown to give results consistent with available experimental data.",

author = "T. T{\"o}rring and Wolfgang Ernst and S. Kindt",

year = "1984",

doi = "10.1063/1.447394",

language = "English",

volume = "81",

pages = "4614--4619",

journal = "The Journal of Chemical Physics",

issn = "1089-7690",

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T1 - Dipole Moments and Potential Energies of the Alkaline Earth Monohalides from an Ionic Model

AU - Törring, T.

AU - Ernst, Wolfgang

AU - Kindt, S.

PY - 1984

Y1 - 1984

N2 - It is shown that the Rittner model is inadequate for the calculation of dipole moments for the alkaline earth monohalides. A modified model is proposed which takes into account explicitly the large charge shifts in the metal ions arising from the polarization. The new model is shown to give results consistent with available experimental data.

AB - It is shown that the Rittner model is inadequate for the calculation of dipole moments for the alkaline earth monohalides. A modified model is proposed which takes into account explicitly the large charge shifts in the metal ions arising from the polarization. The new model is shown to give results consistent with available experimental data.

U2 - 10.1063/1.447394

DO - 10.1063/1.447394

M3 - Article

SN - 1089-7690

VL - 81

SP - 4614

EP - 4619

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 10

ER -

Dipole Moments and Potential Energies of the Alkaline Earth Monohalides from an Ionic Model

Abstract

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