Metal⋅⋅⋅F−C Bonding in Low‐Coordinate Alkaline Earth Fluoroarylamides

Electronic Structure and Bonding of the Ground State of Alkaline-Earth-Metal Monoxides and Carbides

The electronic structure of the ground state of monoxides MO and carbides MC2 with M an alkaline-earthmetal atom (Be to Ba) has been investigated. Bond energies, vibrational frequencies, dipole moments and equilibrium bond lengths have been calculated using a hybrid density functional method. To understand the bonding characteristics, the ELF (electron localization function) and the NBO (natura...

Electric dipole moments and chemical bonding of diatomic alkali-alkaline earth molecules.

We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and ...

π Ligands in Alkaline Earth Complexes

Polymorphous Transformations in Alkaline-Earth Silicates

Thermal Properties of Alkaline Earth Oxides

The heat capacities of MgO, CaO, SrO and BaO, reported in part I have been analysed in terms of the frequency spectrum of the lattice with the assumption that the effect of anharmonicity of the lattice may be neglected for T (@D / 3 ) . Following the usual procedure the n-th moments of the frequency spectrum with n = — 3, —2, — 1, 0, 1 to 6 were calculated from the experimental data. From the l...