Boron-nitrogen clusters

Figure 5-24 Boron-nitrogen clusters, (a) nido-N2B4H (known as alkyl or SiMe3 derivatives), (b) nido-NBgtin-(c) n/do-NB]0Hi3. (d) NBuH12.

H3BNH3, which is isoelectronic and isostructural with ethane. However, there is also a rapidly developing interest in boron-nitrogen clusters that are structural and electronic counterparts of boranes rather than classical organic molecules.29 Figure... 

Other semiconductor clusters, such as silicon, silicon-oxygen, silicon-carbon, and boron-nitrogen clusters, not only are fascinating from the scientific point of view but have a variety of important technological applications. The properties of these clusters are not yet well understood and may be suitable for TBMD studies. 

Many metal carbonyl clusters have interstitial atoms or groups located in the eenter of the polyhedron. Such interstitial atoms may be a light atom sueh as boron, carbon, or nitrogen a post-transition element such as germanium, tin, or antimony or a transition metal. Interstitial atoms most frequently provide all of their valence electrons as skeletal electrons since all of their valence orbitals are neeessarily internal orbitals because of the location of the interstitial atom in the center of the polyhedron. Exceptions to this rule may occur when some of the valence electrons of the interstitial atom occupy orbitals of symmetries which cannot mix with any of the molecular orbitals arising from the polyhedral skeletal bonding. 

Hwu, S.-J. Corbett, J. D. (1986). Metal-Metal-Bonded Scandium Cluster (SC7CI12Z) and Infinite Chain (Sc4ClgZ) Phases Stabilized by Interstitial Boron or Nitrogen (Z), J. Solid State Chem. 64, 331 -346. 

Acharya, C.K., Sullivan, D.I., and Turner, C.H. (2008) Characterizing the interaction of Pt and PtRu clusters with boron-doped, nitrogen-doped, and activated carbon density functional theory calculations and parameterization./. Phys, Chem. C, 112 (35), 13607-13622. doi 10.102 l/jp8034488... 

Huang SF, Terakura K, Ozaki T, Ikeda T, Boero M, Oshima M, Ozaki JI, Miyata S (2009) First-principles calculations of the electronic properties of graphene clusters doped with nitrogen and boron analysis of catal5dic activity for the oxygen reduction reaction. Phys Rev B 80 235410-1-235410-4... 

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