DFT calculations were carried out on compound Cp*2Ru 2(B8H14) that suggests a strong link with the pentalene complex Cp*2Fe2(C8H 6). Both compounds exhibit similar bonding modes and qualitatively related electronic structures. There are however, differences which are related to the weaker B-B bond in the B8H14 ligand as compared to the C-C bond in the pentalene ligand. © 2012 Elsevier B.V. All rights reserved.

Sundargopal Ghosh

Department Of Chemistry

Bonding modes

C-c bonds

Cluster compounds

Density functional theory calculations

DFT calculation

Dinuclear

METALLABORANE COMPLEXES

PENTALENES

Strong link

Chemical bonds

Density functional theory

Electronic structure

Iron

Ligands

ruthenium

Ruthenium compounds

Iron compounds

IIT Madras is a public technical and research university located in Chennai, Tamil Nadu. Founded in 1959, it is recognised as an Institute of National Importance.

IIT Madras has been ranked as the top engineering institute in India for four years in a row by the National Institutional Ranking Framework of the MHRD

It currently offers undergraduate, postgraduate and research degrees across 16 disciplines in Engineering, Sciences, Humanities and Management. About 596 faculty belonging to science and engineering departments and centres of the Institute are engaged in teaching, research and industrial consultancy.

IIT Madras

Journal of Organometallic Chemistry

The recent achievements and progress in the field of high-nuclearity supraicosahedral metallaborane chemistry are reviewed and compared to those made in borane, carborane and metallacarborane chemistry. In contrast to metallacarboranes, characterized large supraicosahedral metallaboranes only adopt isocloso deltahedral structural arrangements with n vertices and a non-Wadean n skeletal-electron-pair count. This anomaly can be rationalized by the preference of metal atoms for 6-connect vertices present in the cluster cages. © 2013 Springer Science+Business Media New York.

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Synthesis and Characterization of Tetra(pyridyl)cyclo­butadiene Iron Complexes [Cp*Fe(C4py4)]-(py = 3-pyridyl and 4-pyridyl, Cp* = C5Me5)

Orbital Interactions in Chemistry

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Relativistic electronic structure of cadmium(II) multidecker phthalocyanine compounds

Bonding and electronic structure of Cp*2Ru 2(B8H14), a metallaborane analogue of dinuclear pentalene complexes

Journal	Journal of Organometallic Chemistry
ISSN	0022328X
Open Access	No