Neutron diffraction study of decaborane

Tippe, A.; Hamilton, Walter C.

doi:10.1021/ic50073a012

Cited by 67 publications

(32 citation statements)

References 1 publication

(1 reference statement)

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“…Remarkably long bonds are found for the four B±B connections between the closo-B 12 and the nido-B 10 unit (189 to 194 pm) and also for the bonds B4'±B5' (209 pm) and B7'±B12' (188 pm), which are also the longest bonds in the parent nido-B 10 H 14 . With the exception of the bonds in the B 12 ±B 10 linkage area, the bonds in the B 12 and in the B 10 unit are nicely comparable to those of closo-[B 12 H 12 ] 2± [19] and nido-B 10 H 14 [20], respectively. Thirteen 11 B NMR signals can be resolved, one of which is a singlet.…”

Section: Introductionmentioning

confidence: 68%

Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Volkov

Dirk²,

Englert³

et al. 1999

Z. anorg. allg. Chem.

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Section: Introductionmentioning

confidence: 68%

Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Volkov

Dirk²,

Englert³

et al. 1999

Z. anorg. allg. Chem.

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“…12, 1978 (20;8,12,0; VIIIb); (21;9,12,0; D3; IXa); (22;10,12,0; DSd); (23;11,12,0;D3;XIa) and (23;11,12,0; Ch; XIb); (24;12,12,0; T; XIIa). 17, No.…”

Section: Computational Detailsmentioning

confidence: 99%

Molecular orbital studies on large closo boron hydrides

Bicerano¹,

Marynick²,

Lipscomb³

1978

Inorg. Chem.

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Department of Chemistry for assistance in obtaining 31P FT N M R spectra. We greatly appreciate the many valuable suggestions from, and discussions with, Dr. Karen W. Morse.Registry No. (PF2C6H,oPF2),Mo, 67858-57-5; fac-(PF2C6Hl@F2)Mn(CO)3Br, 67858-58-6; (PF2C6H1J'F2),Mn(CO)Br, 67858-59-7; ~~S -F~( C O )~( P F~C~H~~P F~) , 67858-60-0; Fe(CO)(P-C O~( C O )~.~~Wave functions calculated in the partial retention of diatomic differential overlap (PRDDO) approximation are presented for hypothetical closo boron hydrides B,H," with n ranging from 13 to 24. Some structures are free of distortions due to incomplete occupancy only if c = 0, rather than the usual -2. Selected doubly negative and three neutral structures are discussed in terms of charge stability, static reactivity indices, degrees of bonding, overlap populations, and localized molecular orbitals obtained by the Boys criterion. Observations and speculations are made on stability, relations to metallocarborane chemistry, and synthesis.

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“…the cluster incorporation of sulfur, the closest Group-16 congener of oxygen, engenders extensive borane-cluster flexibility, and sulphur is consequently a component of an increasingly large and versatile series of thiaboranes and thiametallaboranes [17][18][19][20] . Stoichiometric reactions with potential oxygen-atom sources such as hydroxides, oxides, peroxides and superoxides may constitute suitable entries to designed oxaborane syntheses.…”

Section: C Ximentioning

confidence: 99%

Polyhedral Oxaruthenaborane Chemistry. Characterisation of a [(η6-C6Me6)RuOB9H13] Species of arachno Eleven-Vertex Cluster Character and Other Aspects of Oxaborane Chemistry

Bould

Bown

Kennedy

2005

Collect. Czech. Chem. Commun.

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η 6 -C 6 Me 6 )RuOB 9 H 13 ], obtained in trace yield from the reaction between [{RuCl 2 (η 6 -C 6 Me 6 )} 2 ] and the [arachno-B 6 H 11 ] -anion, has been shown by DFT calculations of structure and of boron-atom nuclear shielding to be of an arachno eleven-vertex cluster geometry that is derived by the removal of adjacent six-connected and five-connected vertices from a closed thirteen-vertex deltahedral 1:6:5:1 stack. The results lead to further considerations in oxaborane chemistry, which are explored and consolidated by calculation. Additional products from the reaction include [4-(η 6 -C 6 Me 6 )-n-arachno-4-RuB 8 H 14 ], also substantiated by DFT calculations, and several four-, five-, six-, nine-and ten-vertex ruthenaboranes that are either known compounds or simple variants of known compounds.Polyborane-based boron-containing cluster compounds that also contain oxygen as a cluster constituent are rare, although the few examples that are known are generally stable and can be readily manipulated in the laboratory without recourse to rigorous anaerobic techniques. The known examples are limited to two oxaborane anions, specifically the nineteen-vertex [OB 18 H 21 ] -anion (species 1) (schematic cluster structure I), in which the oxygen atom has a cluster connectivity-number of two 1 , and the nido-type twelve-vertex [OB 11 H 12 ] -anion 2 (schematic cluster structure II), in which the oxygen atom has a cluster connectivity-number of three 2-6 , together with four neutral oxametallaboranes in all of which the oxygen atom has a cluster connectivity-number of three 6-10 .These last four consist of nido-type twelve-vertex [(η 5 -C 5 Me 5 )RhOB 10 H 9 Cl-(PMe 2 Ph)] 3 (schematic cluster structure III) 6,7 and [(η 5 -C 5 Me 5 )RhOB 10 H 10 -(NEt 3 )] 4 (schematic cluster structure IV) 6,8 , both closely related to anion 2

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Neutron diffraction study of decaborane

Cited by 67 publications

References 1 publication

Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Undecaborates M2[B11H11]: Facile Synthesis, Crystal Structure, and Reactions

Molecular orbital studies on large closo boron hydrides

Polyhedral Oxaruthenaborane Chemistry. Characterisation of a [(η6-C6Me6)RuOB9H13] Species of arachno Eleven-Vertex Cluster Character and Other Aspects of Oxaborane Chemistry

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