Metal-promoted fusion of B6H9-. Directed synthesis and structural characterization of dodecaborane(16), B12H16

Brewer, Cynthia T.; Swisher, Robert G.; Sinn, Ekkehard; Grimes, Russell N.

doi:10.1021/ja00298a026

Cited by 39 publications

(25 citation statements)

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“…The computed structure of species 1 agrees well with the way of its preparation by oxidative fusion of small boron hydride anions fB 5 H À 8 g, fB 6 H À 9 g to generate framework with two atoms in common. [20,21].…”

Section: } In Anionmentioning

confidence: 99%

The electronic structure of nido-B10H14 and [6-Ph-nido-6-CB9H11]− in terms of Bader’s theory (AIM)

Kononova

Klemenkova

2013

Journal of Molecular Structure

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Section: } In Anionmentioning

confidence: 99%

The electronic structure of nido-B10H14 and [6-Ph-nido-6-CB9H11]− in terms of Bader’s theory (AIM)

Kononova

Klemenkova

2013

Journal of Molecular Structure

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“…The structure of B9H15 was not used because of a discrepancy between the reported BV--B w distance and the value calculated from the reported atomic coordinates. The structure of B12H16 (Brewer et al, 1985) was not used because of a suspect misplaced H atom.…”

Section: Crystal Structure Data For Boranesmentioning

confidence: 99%

Intermolecular Force-Field Parameters for Boron Hydrides

Williams¹,

Gao²

1998

Acta Crystallogr Sect B

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Intermolecular atom-atom force-field parameters of the (exp-6-1) type for B and H atoms in boron hydrides were determined. They were obtained by full-weighted leastsquares minimization of 116 forces in 15 observed crystal structures of boranes, the heat of sublimation of B10H 14 and data from ab in itio wavefunction calculations for diborane. Net atomic charges were obtained by fitting them to molecular electric potentials calculated from ab initio wavefunctions. Charges of terminal hydrogens were usually negative and those of bridging hydrogens usually positive. Repulsion-energy calculations for the BzH6 dimer provided the exponential dependence of H...H repulsion. Using the resulting force field, minimumenergy crystal structures were found with structural parameter values close to those of the observed structures. For diborane, energy minimization beginning with randomly oriented molecules placed initially in an 8 x 8 x 8 body-centered orthogonal cell led to the observed crystal structure and monoclinic space group.

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“…36) including thermolysis in the presence of CO (to be reported elsewhere) and thermolytic experiments leading to the isolation of a new borane B24H30, which appears to be the conjuncto dimer of the recently identified molecule B12H16 (ref. 37). …”

Section: Thermolysis and Cothermolysis Reactions Ofmentioning

confidence: 99%

Kinetics of Boron Hydride Interconversion Reactions

Greatrex¹,

Greenwood²

1988

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Metal-promoted fusion of B6H9-. Directed synthesis and structural characterization of dodecaborane(16), B12H16

Cited by 39 publications

References 0 publications

The electronic structure of nido-B10H14 and [6-Ph-nido-6-CB9H11]− in terms of Bader’s theory (AIM)

The electronic structure of nido-B10H14 and [6-Ph-nido-6-CB9H11]− in terms of Bader’s theory (AIM)

Intermolecular Force-Field Parameters for Boron Hydrides

Kinetics of Boron Hydride Interconversion Reactions

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