Document Detail


Trimetallic deltahedral Zintl ions [Sn(9-m-n)Ge(m)Bi(n)]((4-n)-) for n = 1-4 and m = 0-(9 - n): a theoretical survey with prediction and rationalization of the possible structures.
MedLine Citation:
PMID:  23211924     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
The recent discovery of trimetallic deltahedral Zintl ions based on Sn, Ge, and Bi revealed the possibility to obtain such clusters with a variety of different Sn/Ge/Bi ratios. Although only the dimer [(BiSn(6)Ge(2))-(Ge(2)Sn(6)Bi)](4-) was structurally characterized, a number of other nine-atom clusters with various stoichiometries were detected by electrospray mass spectrometry. The lack of structural data for the latter persuaded us to use relativistic density functional calculations in order to determine and rationalize theoretically the most stable structure conformation of each cluster and the positional preferences for the different atoms in the series [Sn(9-m-n)Ge(m)Bi(n)]((4-n)-) where n = 1-4 and m = 0-(9 - n). The analysis revealed strong dependence of the cluster geometry on the cluster stoichiometry and revealed sites with significantly different charge distribution. In addition, we introduce a parameter ϕ based on certain angles in order to rationalize the obtained structures as monocapped square antiprisms (C(4v)), tricapped trigonal prisms (D(3h)), or intermediates (C(2v)).
Authors:
Alvaro Muñoz-Castro; Slavi C Sevov
Related Documents :
21256504 - Preparation of perfluoro-1,3-propanedisulfonic acid/silica nanocomposites-encapsulated ...
23787914 - Mechanism of palladium-catalyzed suzuki-miyaura reactions: multiple and antagonistic ro...
21652724 - A nonselenoprotein from amphioxus deiodinates triac but not t3. is triac the primordial...
22995484 - Magnetic tweezers-based force clamp reveals mechanically distinct apcam domain interact...
22209414 - Synthesis, antiproliferative activity and estrogen receptor α affinity of novel estrad...
21582614 - Dimethyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-12-4
Journal Detail:
Title:  Physical chemistry chemical physics : PCCP     Volume:  -     ISSN:  1463-9084     ISO Abbreviation:  Phys Chem Chem Phys     Publication Date:  2012 Dec 
Date Detail:
Created Date:  2012-12-5     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  100888160     Medline TA:  Phys Chem Chem Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
Departamento de Ciencias Quimicas, Universidad Andres Bello, Av. Republica 275, Santiago, Chile. alvaro.munoz@unab.cl.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  Does the fast Fourier transformation window length affect the slope of an electromyogram's median fr...
Next Document:  Mechanisms of Nuclear Suppression of Host Immunity by Effectors from the Arabidopsis Downy Mildew Pa...