Coinage Metal Halide Clusters: From Two‐Dimensional Ring to Three‐Dimensional Solid‐State‐Like Structures
2006; Wiley; Volume: 7; Issue: 11 Linguagem: Inglês
10.1002/cphc.200600452
ISSN1439-7641
AutoresRobert Krawczyk, A. Hammerl, Peter Schwerdtfeger,
Tópico(s)Nanocluster Synthesis and Applications
ResumoChemPhysChemVolume 7, Issue 11 p. 2286-2289 Communication Coinage Metal Halide Clusters: From Two-Dimensional Ring to Three-Dimensional Solid-State-Like Structures Robert P. Krawczyk Dr., Robert P. Krawczyk Dr. Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this authorAnton Hammerl Dr., Anton Hammerl Dr. Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this authorPeter Schwerdtfeger Prof. Dr., Peter Schwerdtfeger Prof. Dr. [email protected] Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this author Robert P. Krawczyk Dr., Robert P. Krawczyk Dr. Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this authorAnton Hammerl Dr., Anton Hammerl Dr. Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this authorPeter Schwerdtfeger Prof. Dr., Peter Schwerdtfeger Prof. Dr. [email protected] Centre of Theoretical Chemistry and Physics, Institute of Fundamental Sciences, Massey University, Private Bag 102904, North Shore MSC, Auckland, New Zealand, Fax: (+64) 9-443-9779Search for more papers by this author First published: 06 November 2006 https://doi.org/10.1002/cphc.200600452Citations: 13Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract Transition to the solid state: Quantum chemical calculations show that the change from the 2D ring to the compact 3D bulklike structure (see figure) for the group 11 halides occurs at a cluster size equal to six, (MX)6 (M=Cu, Ag, and Au; X=F, Cl, Br, and I), with the exception of gold where relativistic effects lead to the well-known zig-zag chains for solid gold halides. References 1J. Maddox, Nature 1988, 333, 201. PubMedWeb of Science®Google Scholar 2K. Rosciszewski, B. Paulus, P. Fulde, H. Stoll, Phys. Rev. B 2000, 62, 5482–5488. 10.1103/PhysRevB.62.5482 CASWeb of Science®Google Scholar 3P. Schwerdtfeger, N. Gaston, R. P. Krawczyk, R. Tonner, G. E. Moyano, Phys. Rev. B 2006, 73, 064112–1–19. 10.1103/PhysRevB.73.064112 CASWeb of Science®Google Scholar 4D. J. Wales, J. P. K. Doye, J. Phys. Chem. A 1997, 101, 5111–5116. 10.1021/jp970984n CASWeb of Science®Google Scholar 5T. P. 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