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1996 | 90 | 1 | 21-32
Article title

Electronic Structure of Organometallic Complexes of f Elements. Are Molecular Orbital Calculations a Useful Tool for Spectroscopists?

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Content
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Languages of publication
EN
Abstracts
EN
The crystal field parameters of base-free (Me_{3}SiC_{5}H_{4})_{3}Pr, (C_{5}H_{5})_{3}Pr·NCCH_{3}, (C_{5}H_{5})_{3}La(NCCH_{3})_{2}:Pr, [Pr(C_{8}H_{8})]^{+} and Nd[N(SiMe_{3})_{2}]_{3} as model compound for Nd[CH(SiMe_{3})_{2}]_{3} were inserted into the corresponding energy matrices of a model spin-free f^{1} system. Diagonalizing these matrices the crystal field splitting patterns of the f orbitals were calculated. These experimentally based molecular orbital schemes are compared with the results of previous model calculations.
Keywords
EN
Publisher

Year
Volume
90
Issue
1
Pages
21-32
Physical description
Dates
published
1996-07
Contributors
author
  • Institut für Anorganische und Angewandte Chemie der Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany
author
  • Institut für Anorganische und Angewandte Chemie der Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany
References
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv90z102kz
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