Unusually short phantom bonds containing Si and P atoms. A theoretical study of 2,4,5-trioxa-1,3-disilabicyclo[1.1.1]pentane and its phosphorus dication analogue

Nagase, Shigeru; Kudo, Takako; Kurakake, Toshiya

doi:10.1039/c39880001063

Cited by 32 publications

(15 citation statements)

References 2 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Among cage-like compounds, the nature of the bridgehead bond of bicyclo [1.1.1]pentanes has been of considerable interest. According to theoretical studies, the type of H 2 M 2 Ch 3 [1.1.1]propellanes 1 (R = H; M = Si, Ge, Sn; Ch = O) is predicted to have a short nonbonded distance between the two bridgehead Group 14 atoms [9,10]. Although no reports on the synthesis of trioxadimetallabicyclo [1.1.1]pentanes of heavier Group 14 elements have so far appeared, trithia-and triselenaderivatives have been relatively well-investigated.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and structures of polychalcogenadistannabicyclo[k.l.m]alkanes

Saito¹,

Hashimoto²,

Tajima³

et al. 2007

Journal of Organometallic Chemistry

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Synthesis and structures of polychalcogenadistannabicyclo[k.l.m]alkanes

Saito¹,

Hashimoto²,

Tajima³

et al. 2007

Journal of Organometallic Chemistry

View full text Add to dashboard Cite

“…Moreover, a SiÀSi separation as short as 2.06 was predicted by first-principle calculations in a compound where the two atoms were found not to be bonded. [26] We have selected a few configurations corresponding to the minima and maxima of the Si 1 ÀSi 1' bond length (2.0-2.2 ) and repeated both the density and the ELF analyses described above for the ground-state configuration. The results for the bond orders calculated for these geometries as well as for the equilibrium geometry (d = 2.1 ) are reported in Figure 5 for both schemes.…”

mentioning

confidence: 99%

Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations

2005

View full text Add to dashboard Cite

A silicon compound has recently been synthesized that was claimed to exhibit the first realization of a silicon-silicon triple bond. We debate this classification on the basis of a thorough investigation of the nature of the chemical bond, using the rigorous topological analysis of the electron density as developed in Bader's atoms-in-molecules theory, that of the electron localization function and the related orbital-independent definitions of the bond order. Our results refer both to the ground-state geometry and to nonequilibrium configurations, which are accessed by the system in a room-temperature ab initio molecular dynamics simulation. We also use the reciprocal compliance force constant as an independent chemical descriptor. All the above procedures are in agreement and do not support the classification of the silicon-silicon central bond as triple. The characterization which consistently emerges from the present study is one in which two electron pairs participate in the bonding and the other pair belongs mainly to nonbonding regions.

show abstract

“…During an attempt of dehydrative coupling of a stannanetriol for the formation of an unprecedented 2,4,5-trioxa-1,3-dimetellabicyclo[1.1.1]pentane, which should have unusually short metal-metal distance [18], stannanetriol 2,6-Tip 2 C 6 H 3 Sn(OH) 3…”

Section: Involvement Of Silicone Grease With Group 14 Compoundsmentioning

confidence: 99%