Journal of Radioanalytical and Nuclear Chemistry
Volume/Issue:
Volume 188: Issue 2
Molecular orbital calculation of Mössbauer parameters for photofragments of Fe(CO)5
Authors: Y. Yamada 1 and T. Tominaga 1
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  • 1 The University of Tokyo Department of Chemistry, School of Science 7-3-1 Hongo Bunkyo-ku 113 Tokyo Japan
Pages:
83–97
Online Publication Date:
20 Sep 2005
Publication Date:
17 Sep 1994
Article Category:
Research Article
DOI:
https://doi.org/10.1007/bf02164942
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Abstract  

Molecular orbital calculations were performed to obtain electron density and electric field gradient at the iron nucleus of iron carbonyls Fe(CO)n (n=2–5) so as to estimate the Mössbauer parameters, of these species. The calculated values were compared with the experimental values obtained in low temperature nitrogen matrices; structures of these species were optimized to fit the observed values.

Cover Journal of Radioanalytical and Nuclear Chemistry
Journal of Radioanalytical and Nuclear Chemistry
Print ISSN:
0236-5731
Online ISSN:
1588-2780

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Journal of Radionalytical and Nuclear Chemistry
Language English
Size A4
Year of
Foundation		 1968
Volumes
per Year		 1
Issues
per Year		 12
Founder Akadémiai Kiadó
Founder's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address		 H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher		 Chief Executive Officer, Akadémiai Kiadó
ISSN 0236-5731 (Print)
ISSN 1588-2780 (Online)

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