Chemistry of B-Fluorinated Borazines

Beyer, Hermann K.; Jenne, Harry; Hynes, John B.; Niedenzu, K.

doi:10.1021/ba-1964-0042.ch026

Cited by 12 publications

(8 citation statements)

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“…Borazine was prepared by pyrolysis of a mixture of lithium aluminium hydride and am monium chloride (Schaeffer, Schaeffer & Schlesinger 1951; Kennedy i960), and R-trifluoro-borazine was prepared by the method of Beyer, Jenne, Hynes & Niedenzu (1964). Both compounds were purified by vacuum distillation, and gas-phase infrared spectra showed no detectable impurities.…”

Section: Methodsmentioning

confidence: 99%

A Discussion on photoelectron spectroscopy - Photoelectron studies of boron compounds I. Diborane, borazine and B-trifluoroborazine

Lloyd

Lynaugh

1970

Phil. Trans. R. Soc. Lond. A

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The photoelectron spectra of diborane, hexadeuterodiborane, borazine and B -trifluoroborazine are presented, and adiabatic and vertical ionization potentials have been measured. The vibrational fine structure observed on some of the diborane bands is shown to be consistent with the forms of the molecular orbitals calculated by rigorous s.c.f. methods. The vertical i.p. of diborane are in better accord with a calculation which predicts a boron-boron bond in addition to the hydrogen bridge than with the calculations which indicate no direct boron-boron interaction. In borazine it is shown that the uppermost orbital is of π type rather than the σ type predicted by calculations, and that the extent of the π bonding, as measured by the energy separation of the π-type orbitals, is about 85 % of that in benzene. The effect of fluorination of borazine, as in benzene, is to stabilize the σ orbitals more than the π orbitals.

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Section: Methodsmentioning

confidence: 99%

A Discussion on photoelectron spectroscopy - Photoelectron studies of boron compounds I. Diborane, borazine and B-trifluoroborazine

Lloyd

Lynaugh

1970

Phil. Trans. R. Soc. Lond. A

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“…[29] (HN=BF) 3 can be prepared from the trichloroborazine by treatment with various metal fluorides. [30][31][32][33] We followed the reaction of (HN=BCl) 3 with SbF 3 by 11 B NMR spectroscopy and observed a quantitative Cl/F exchange [Equation (1)]. Crystallisation from hexane yielded (HN=BF) 3 , 1, in 89 % yield which can be compared with a reported yield of 40 %.…”

Section: 46-trihaloborazines and Their Structuresmentioning

confidence: 99%

Structural Chemistry of Borazines

Anand¹,

Nöth²,

Schwenk‐Kircher³

et al. 2008

Eur J Inorg Chem

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Keywords: Borazines / Ring distortionThe solid-state structure of (HN=BF) 3 has been redetermined. It is characterised by a stacking of the molecules, similar to hexagonal boron nitride. In contrast, (F 3 CH 2 N=BF) 3 shows no intermolecular interactions between the planar borazine rings. In (Cl 2 BN=BCl) 3 , the Cl 2 B groups are almost perpendicularly oriented to the planar borazine ring and its B-Cl bonds are shorter than the Cl-B bonds to the ring boron atoms. Reactions of (Cl 2 BN=BCl) 3 with Me 3 SiNMe 2 allows a successive Cl/Me 2 N exchange. Depending on the molar ratio, the compounds [Cl

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“…However, the Mulliken analysis also indicates that there is an overall N → B π-charge transfer of 0.40e, and this N → B π-charge transfer is an important factor in the aromaticity of borazine. It has been suggested that replacing a hydrogen atom of boron with a more electronegative substituent will draw more electron density from nitrogen onto boron, thereby increasing the aromatic stabilization of the molecule …”

Section: Introductionmentioning

confidence: 99%

Ab Initio Study of the Relative Energies and Properties of Fluoroborazines

Parker

Davis

1997

J. Phys. Chem. A

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In the effort to compute molecular properties more accurately and at a lower cost in terms of computational time, density functional theory has emerged as an alternative to more expensive methods to include correlation corrections. In this paper the optimized geometries, harmonic frequencies, and electronic energies of ab initio calculations performed on borazine and the fluorinated derivatives of borazine at the B3LYP/6-31G** and MP2(FC)/6-31G** levels of theory are presented. We compare the results of the density functional method with second-order perturbation theory and, where possible, compare experimental observations with computed properties. A qualitative assessment of the aromaticity of borazine as a function of fluoro substitution is proposed. The calculations indicate, at both levels of theory, evidence for in-plane π bonding between fluorine and boron and fluorine and nitrogen in the fluorinated deriatives of borazine.

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Chemistry of B-Fluorinated Borazines

Cited by 12 publications

References 0 publications

A Discussion on photoelectron spectroscopy - Photoelectron studies of boron compounds I. Diborane, borazine and B-trifluoroborazine

A Discussion on photoelectron spectroscopy - Photoelectron studies of boron compounds I. Diborane, borazine and B-trifluoroborazine

Structural Chemistry of Borazines

Ab Initio Study of the Relative Energies and Properties of Fluoroborazines

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