Untitled

Wesemann, Lars; Ramjoie, Yves; Trinkaus, Michael; Ganter, Beate

doi:10.1002/(sici)1521-3749(199810)624:10<1573::aid-zaac1573>3.3.co;2-j

Cited by 2 publications

(3 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Atomic coordinates and equivalents isotropic displacement coefficients are given in the Supporting Information. The geometrical data of the icosahedral cluster reveal almost no difference in comparison to the structures of 1 8 and 4 9b5 1 4 5 B3/6 −13.9 −14.7 −14.1 B4/5/7/11 −14.8 −14.7 −14.8 B8/10 −11.5 −11.8 −11.5 B9/12 −12.9 −12.8 −12.9 …”

Section: Resultsmentioning

confidence: 88%

“…Another unexpected cluster geometry is realized in the case of the dialkylamide adducts of 1,2-dimethyl-1,2-disila- closo -dodecaborane(12) ( o -silaborane) (anion [Et 2 N(MeSi) 2 B 10 H 10 ] - , 2 , in Figure ) . Whereas Wade's cluster rules predict an arachno cluster, the closo geometry of o -silaborane remains almost unchanged after adduct formation.…”

Section: Introductionmentioning

confidence: 97%

See 1 more Smart Citation

Silaborates with an Unprecedented Cluster Geometry

et al. 1999

Self Cite

View full text Add to dashboard Cite

The reaction of o-silaborane with a series of carbanions is presented. Adducts of o-silaborane were prepared in reaction with Grignard reagents (RMgBr R ) Me, Ph, benzyl, allyl, vinyl, and ethinyl) (3a-f). The salts were isolated in high yield and characterized by elemental analyses and NMR spectroscopy. In the case of the benzylide adduct the structure in the solid state was determined by X-ray single-crystal structure analysis. Ab initio calculations were carried out on the methylide derivative [Me 3 Si 2 B 10 H 10 ] -, and results of the geometry optimizations together with calculated NMR chemical shifts are discussed. The first substitution reaction at a silicon vertex of the o-silaborane skeleton is presented with the synthesis of [MeSiPhSiB 10 H 10 ], which is characterized by X-ray crystal structure analysis.

show abstract

Section: Resultsmentioning

confidence: 88%

Section: Introductionmentioning

confidence: 97%

Silaborates with an Unprecedented Cluster Geometry

et al. 1999

Self Cite

View full text Add to dashboard Cite

show abstract

“…1 From now on, unless otherwise stated, the notation ortho, meta and para for any r-X 2 Z 10 H 12 isomer will be shortened to o-, m-and p-respectively. While B 12 H 12 2À and r-carborane chemistries are well-known and founded, little is known regarding analogous structures from the viewpoint of the periodic table if we take into account the same number of valence electrons: hence, we may ask what stability and reactivity one should expect when substituting C 2 Si and B 2 Al in the above clusters, leading to the species Al 12 [18][19][20] are known so far to our knowledge. We are not aware of published material on 12-vertex carbaluminium or silaluminium compounds with icosahedral r-X 2 Al 10 H 12 formulae, X = {C, Si}; only crystal structures including the Al 12 icosahedral cluster have been published.…”

Section: Introductionmentioning

confidence: 99%

On the electronic structure and stability of icosahedral r-X2Z10H12 and Z12H122− clusters; r = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}

Oliva

Schleyer

Aullón

et al. 2010

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

We report on the electronic structure of the 12-vertex icosahedral clusters r-X(2)Z(10)H(12) and Z(12)H(12)(2-), where X = {C, Si} and Z = {B, Al}. The least stable cluster--with the lowest HOMO-LUMO gap (E(g))--corresponds to the ortho-X(2)Z(10)H(12) isomers for all values of X = {C, Si} and Z = {B, Al}. The well-known energetic order E(para) < E(meta) < E(ortho) for r-carboranes is also valid for all compounds except r-C(2)Al(10)H(12). Substitution of two atoms of carbon or silicon into the icosahedral cage B(12)H(12)(2-) enhances considerably the stability of the system as analyzed from E(g) gaps, as opposite to Al(12)H(12)(2-), where similar gaps are found upon double carbon or silicon substitution regardless of the positions in the cage. In order to highlight similarities and differences in the title clusters, topological analysis of the electron density was performed, together with analysis of the deviation from polyhedron icosahedral form with (i) volumes, skewness and kurtosis calculations; and (ii) continuous shape measures.

show abstract

Untitled

Cited by 2 publications

References 0 publications

Silaborates with an Unprecedented Cluster Geometry

Silaborates with an Unprecedented Cluster Geometry

On the electronic structure and stability of icosahedral r-X2Z10H12 and Z12H122− clusters; r = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}

Contact Info

Product

Resources

About