homodesmic

homodesmic

[‚hä·mə′dez·mik]
(crystallography)
Of a crystal, having atoms bonded in a single way.
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The remarkable stability of spiropentasiladiene 30 is ascribed partly to much smaller strain energy (SE) of the silicon spiro-ring system than that of the carbon analog, in addition to the kinetic stability due to steric protection by four bulky tris(t-butyldimethylsilyl)silyl groups; the SE value of the parent spiropentasiladiene [Si.sub.5][H.sub.4] with [D.sub.2d] symmetry (61.1 kcal [mol.sup.-1]) calculated using homodesmic reactions at the B3LYP/6-311++G(3df,2p)//B3LYP/6-31G(d) level is almost a half of that of the corresponding spiropentadiene [C.sub.5][H.sub.4] ([D.sub.2d], 114.2 kcal [mol.sub.-1]).