Theoretical study of the structure of tetraborane(10)

Fully optimized geometries are reported for two possible isomers of B₄H₁₀. At the restricted Hartree-Fock level, the unobserved bisdiborane isomer is lower in energy than the observed isomer. Generalized-molecular-orbital, configuration-interaction calculations show that electron correlation is responsible for this reversal. Electron correlation may be important in stabilizing other cluster molecules.