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, Anthony J.; Jonas, Volker; Thiel, Walter; Strauss, Steven H.; Frenking, Gernot

doi:10.1002/(SICI)1521-3765(19990903)5:9<2573::AID-CHEM2573>3.0.CO;2-J

Local TagsRelease HistoryDetailsSummary

Trends in Molecular Geometries and Bond Strengths of the Homoleptic d¹⁰ Metal Carbonyl Cations [M(CO)_n]^x+ (M^x+=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+ (M^x+=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.

Item is Released

show all hide all

Basic

show hide

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

Genre: Journal Article

Files

show Files

Locators

show

Creators

show

hide

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

Content

show

hide

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.

Details

show

hide

Language(s): eng - English

Dates: Submitted: 1999-01-07Published Online: 1999-08-30Date issued: 1999-09-03

Publication Status: Issued

Pages: 11

Publishing info: -

Table of Contents: -

Rev. Type: Peer

Identifiers: DOI: 10.1002/(SICI)1521-3765(19990903)5:9<2573::AID-CHEM2573>3.0.CO;2-J

Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show

hide

Title: Chemistry – A European Journal

Other : Chem. – Eur. J.

Other : Chem. Eur. J.

Source Genre: Journal

Creator(s):

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: https://pure.mpg.de/cone/journals/resource/954926979058