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  Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n=1–6): A Theoretical Study

Lupinetti, A. J., Jonas, V., Thiel, W., Strauss, S. H., & Frenking, G. (1999). Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n=1–6): A Theoretical Study. Chemistry – A European Journal, 5(9), 2573-2583. doi:10.1002/(SICI)1521-3765(19990903)5:9<2573:AID-CHEM2573>3.0.CO;2-J.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-4881-3 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-4882-1
Genre: Journal Article

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 Creators:
Lupinetti, Anthony J.1, 2, Author
Jonas, Volker3, Author
Thiel, Walter3, Author              
Strauss, Steven H.2, Author
Frenking, Gernot1, Author
Affiliations:
1Fachbereich Chemie, Philipps-Universität, Hans-Meerwein-Strasse, D-35037 Marburg , ou_persistent22              
2Department of Chemistry, Colorado State University, Fort Collins, CO 80523 (USA), ou_persistent22              
3Organisch-chemisches Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland, ou_persistent22              

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Free keywords: Bonding analysis; Bond strength; Carbonyl complexes; Quantum chemical calculations; Transition metals
 Abstract: Surprising trendsin the M–CO bond dissociation energies (see illustration; n = number of carbonyl ligands) are revealed by quantum chemical calculations for the title molecules. Analysis of the bonding interactions reveals an interplay of coulombic and covalent interactions between the metal cations and CO. Theoretical predictions are made for strongly bound carbonyl complexes which have not yet been synthesized.

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Language(s): eng - English
 Dates: 1999-01-071999-08-301999-09-03
 Publication Status: Published in print
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Affiliations:
Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: 11 Volume / Issue: 5 (9) Sequence Number: - Start / End Page: 2573 - 2583 Identifier: ISSN: 0947-6539
CoNE: /journals/resource/954926979058