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Molecular orbital calculations on transition metal complexes

✍ Scribed by Denis W. Clack; Keith D. Warren

Publisher: Springer
Year: 1977
Tongue: English
Weight: 639 KB
Volume: 46
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00554516

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📜 SIMILAR VOLUMES

Molecular orbital calculations on transi

Molecular orbital calculations on transition metal complexes part VII

✍ Denis W. Clack 📂 Article 📅 1974 🏛 Springer 🌐 English ⚖ 340 KB

Molecular-orbital calculations on transi

Molecular-orbital calculations on transition-metal complexes: Charge-transfer transitions and the interpretation of photoelectron spectra

✍ W.Th.A.M. Van Der Lugt 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 391 KB

The results of some molecular-orbital caIculations on some transition-metal complexes according to a nove1 allvalence electron method are summarized. A comparison is made between the CalcuIated and experimental chargetransfer spectra. In addition, attention is drawn to the remarkable sequence of the

Molecular orbital calculations on transi

Molecular orbital calculations on transition metal complexes. Part XVI. The mixed sandwich complex π-cyclopentadienyl-π-cyclooctatetraenyltitanium

✍ D.W. Clack; K.D. Warren 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 405 KB

INDO SCF molecular orbital calculations have been carried out for the title complex. The results confirm the 'A, ground state indicated by esr measurements, showing the unpaired electron to reside in a dominantly metal d,l orbital, whilst the next filled level is derived mainly from a n-&and e, orbi

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

Molecular Orbital calculations on transi

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

✍ D.W. Clack; M. Monshi 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 49 KB

Semiempirical molecular orbital calculat

Semiempirical molecular orbital calculations on octahedral aquo complexes of transition metal ions: σ-donor ability of water

✍ Sankar Prasad Bhattacharyya 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 236 KB

## Abstract A comparative analysis is carried out on the strengths of binding of a series of transition metal ions to a water molecule using CNDO type MO theory developed earlier. Comparative features of the energetics of metal–ligand bonds in aquo and amine complexes are also analyzed.