Molecular Orbital calculations on transition metal complexes. Part XV. Ground electronic configurations and low energy d → d transitions in cobalt and iron phthalocyanines

Molecular orbital calculations on transi

Molecular orbital calculations on transition metal complexes. Part XIII. Ground states and bonding in 3d5 bis-benzene complexes

✍ D.W. Clack; W. Smith 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 507 KB

INDO SCF Molecular orbital results are reported for the bis-benzene complexes V(&,H&, G(CeH& and [Cr(Ce,He)2/'. In contrast to the 'Ezg and 6A1s ground states previously obtained for the closely related fenicenium and manganocene, a 'A I gground electronic conftguration is computed for V(I(cgH& and