Abstract
Charge overlap and molecular orbital energies for the -( M 2)- linear chain unit are computed for selected transition metals. For valid comparison, uniform parameters are used starting with the type of d n sp excited configuration of the atoms that is favorable to linear digonal hybrid bonding. Stabilities of the chains are then compared. Bond order and bond energies of σ, π, and δ bonds for the d molecular orbitals are deduced. Results support the existence of linear chains of group V or group VI atoms as the A atoms in superconducting A 3 B alloys. Conjugated resonance structures are drawn for all multiple bonds in the chains. A possible relationship between chain integrity (and conjugation) and conductivity in such alloys is suggested.
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