✦ LIBER ✦

MO model of electron delocalisation in mixed-valence biotahedral clusters

✍ Scribed by V. Robert; S.A. Borshch; B. Bigot

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 552 KB
Volume: 236
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00258-6

No coin nor oath required. For personal study only.

✦ Synopsis

A simple extended Hiickel type molecular orbital model is proposed for mixed-valence bioctahedral clusters. The model allows the study of the delocalisation of the excess electron in these systems as a function of the arrangement of octahedral units, metal-metal distances and electronic configurations. Fe(ll)-Fe(lll) clusters with oxygen ligands are considered as examples, it is shown that the model provides information about the electronic structure of mixed-valence clusters which cannot be obtained from phenomenologicai vibronic theories.

📜 SIMILAR VOLUMES

Electron transfer in tetranuclear mixed-

Electron transfer in tetranuclear mixed-valence iron clusters. Role of the topology on the magnetic properties

✍ J.J. Borras-Almenar; E. Coronado; R. Georges; C.J. Gomez-Garcia 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 504 KB

Electron transfer 120. Reductions of the

Electron transfer 120. Reductions of the cuboidal mixed-valence molybdenum/sulfur cluster, [Mo4S4(H2O)12]5+

✍ Manik C. Ghosh; E.S. Gould 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 718 KB

Mixed-valence polyoxometalate clusters.

Mixed-valence polyoxometalate clusters. I. Delocalization of electronic pairs in dodecanuclear heteropoly blues with keggin structure

✍ J.J. Borrás-Almenar; J.M. Clemente; E. Coronado; B.S. Tsukerblat 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 984 KB

The electronic states and Lewis acidity

The electronic states and Lewis acidity of surface aluminum atoms in γ-Al2O3 model cluster: An ab initio MO study

✍ Hiroto Tachikawa; Takeshi Tsuchida 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 457 KB

The electronic states of the surface and bulk aluminum ions in y-Al,O, have been determined by using ab initio molecular orbital (MO) method. As bulk and surface models of y-AlzOs, [Al(OH),J3-" and [Al(OH),\_,]4-" (n=4, 6) clusters for one-unit model and [A120(OH>,,J4-" and [A120(OH),\_2]6-m (m=6, 1

Analysis of the effects of mechanical st

Analysis of the effects of mechanical stress on the properties of p-channel MOS structures. Part I. Choice of the theoretical model. The effect of stress on the valence band structure in silicon: Bogdan Moeschke. Electron Technol.12, (1) 29

📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 125 KB