Bonding with boron

Bonding in Boron Hydrides

Unique preferred localized valence structures for B2H6, B4H10, B5H,, and B6H10 have been found from accurate self-consistent field wavefunctions by maximizing Coulomb repulsions of electron pairs within orbitals. Objective evidence has thus been obtained for two-centre BH, three-centre bridge BHB, two-centre BB and central three-centre BBB bonds, but not, as yet, for open three-centre BBB bonds...

Visualizing the mixed bonding properties of liquid boron with high-resolution x-ray Compton scattering.

Bonding characteristics of liquid boron at 2500 K are studied by using high-resolution Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Covalent bond pairs are clearly shown to dominate in liquid boron along with the coexistence of diffuse pairs. Our study reveals the complex bonding pattern of liqu...

Comparison of Gold Bonding with Mercury Bonding*

Nine AuX molecules (X = H, O, S, Se, Te, F, Cl, Br, I), their isoelectronic HgX analogues, and the corresponding neutral HgX diatomics have been investigated using NESC (Normalized Elimination of the Small Component) and B3LYP theory to determine relativistic effects for bond dissociation energies (BDEs), bond lengths, dipole moments, and charge distributions. Relativistic effects are substanti...

Coexistence of covalent and metallic bonding in the boron intercalation superconductor MgB2

Bonding and electronic states of boron in silicon nanowires characterized by an infrared synchrotron radiation beam.

The infrared synchrotron radiation (IR-SR) beamline of SPring-8 as an IR light source was applied to characterize boron (B) atoms in silicon nanowires (SiNWs). The use of an IR-SR beam with much higher brilliance than conventional IR light sources and a wide range of wavenumbers from visible to far IR regions made it possible to detect a local vibrational mode of B in SiNWs. The use of this tec...