Umsetzungen von Metall‐ und Metalloidverbindungen mit mehrfunktionellen Molekeln. VI. Amidohalogenborane

Maringgele, W.; Meller, A.

doi:10.1002/zaac.19774330110

Cited by 24 publications

(3 citation statements)

References 8 publications

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“…Selected experimental lines have previously been assigned for some BN heterocycles. The results (in cm -1 ) are ν(N-H), 3240-3450; 4,18,24,30,31,36 ν(C-H), 3045; 30 ν(B-H), 2542-2656; 13,19,[26][27][28][29] ν(CdN), 1599-1650; 4,[31][32][33]36 ν(B-N), 1340-1400; 12,35 and ν(N-O), 920. 36 The X-H stretch frequencies are about 5% higher than the MP2 values, as expected.…”

Section: Harmonic Vibrational Frequenciesmentioning

confidence: 99%

“…Experimental X-ray structures are available for five of the 12, 19 , , 42 , 46 , ,, 56 , and 76 , , but there is gas-phase electron diffraction data in only one case, 56 ,− Infrared, and occasionally Raman, data have been reported for 19 , , 22 , − 26 , 46 , , 53 , 59 , 63 , and 76 . ,, Dipole moments have been measured only for variants of 19 . No experimental polarizabilities are available for these molecules, even in substituted form.…”

Section: Introductionmentioning

confidence: 99%

“…25 Detailed vibrational spectral analysis has been performed for derivatives of 56. 13,[26][27][28][29] Infrared, and occasionally Raman, data have been reported for 19, 4,30 22, [31][32][33] 26, 18 46, 3,34 53, 12 59, 35 63, 15 and 76. 24,31,36 Dipole moments have been measured only for variants of 19.…”

Section: Introductionmentioning

confidence: 99%

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Structures, Vibrational Frequencies and Polarizabilities of Diazaborinines, Triazadiborinines, Azaboroles, and Oxazaboroles

Doerksen

Thakkar

1999

J. Phys. Chem. A

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Ab initio, second-order, Møller−Plesset perturbation theory calculations of the equilibrium geometries, harmonic vibrational frequencies, relative stabilities, dipole moments, and static dipole polarizabilities are reported for 70 different 6π-electron monocycles containing boron and nitrogen. These include 26 azaborinines isosteric to pyridine, 16 azaboroles, and 28 oxazaboroles. The most stable isomers have the substructure XBHNH, where X = N, NH, or O is the base-ring heteroatom. Planar conformations are stable minima for all but 15 five-membered rings. Lower level calculations are unreliable in predicting which molecules are planar. Good agreement is found with the available electron diffraction and X-ray structures of substituted rings. Additive atom and bond polarizability models which are accurate to within a few percent are constructed for a larger set of 104 planar molecules, including azines, azoles, oxazoles, and azaborinines isosteric to benzene. The presence of boron causes scatter of the polarizabilities of isomers; hence the additive models of polarizability are less accurate than if only heterocycles containing C, N, and O are included.

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Section: Harmonic Vibrational Frequenciesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Structures, Vibrational Frequencies and Polarizabilities of Diazaborinines, Triazadiborinines, Azaboroles, and Oxazaboroles

Doerksen

Thakkar

1999

J. Phys. Chem. A

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Azaborabutadienes: Synthesis by Metal‐Free Carboboration of Nitriles and Utility as Building Blocks for B,N‐Heterocycles

Kong

Lü

et al. 2016

Angewandte Chemie

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Metal-free regioselective carboboration of arylnitriles with L 2 PhBD (1:L = oxazol-2-ylidene) catalyzed by Et 3 Ba fforded the unprecedented acyclic 2-aza-4-borabutadienes 2,t hus demonstrating an ew strategy to construct aB ,C,N-mixed p-system involving B=Ca nd C=Nb onds. Thermal isomerization of 2 gave C-borylimines (3), and diverse reactivity of 2a towards several substrates,such as H + , F + ,O 2 ,S ,S e, and isonitriles,a llowed construction of boroncontaining heterocycles with various ring sizes,thus illustrating the utility of 2 as asynthetic building block.

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Azaborabutadienes: Synthesis by Metal‐Free Carboboration of Nitriles and Utility as Building Blocks for B,N‐Heterocycles

Kong

Lü

et al. 2016

Angew Chem Int Ed

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Metal-free regioselective carboboration of arylnitriles with L PhB: (1: L=oxazol-2-ylidene) catalyzed by Et B afforded the unprecedented acyclic 2-aza-4-borabutadienes 2, thus demonstrating a new strategy to construct a B,C,N-mixed π-system involving B=C and C=N bonds. Thermal isomerization of 2 gave C-borylimines (3), and diverse reactivity of 2 a towards several substrates, such as H , F , O , S, Se, and isonitriles, allowed construction of boron-containing heterocycles with various ring sizes, thus illustrating the utility of 2 as a synthetic building block.

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Umsetzungen von Metall‐ und Metalloidverbindungen mit mehrfunktionellen Molekeln. VI. Amidohalogenborane

Cited by 24 publications

References 8 publications

Structures, Vibrational Frequencies and Polarizabilities of Diazaborinines, Triazadiborinines, Azaboroles, and Oxazaboroles

Structures, Vibrational Frequencies and Polarizabilities of Diazaborinines, Triazadiborinines, Azaboroles, and Oxazaboroles

Azaborabutadienes: Synthesis by Metal‐Free Carboboration of Nitriles and Utility as Building Blocks for B,N‐Heterocycles

Azaborabutadienes: Synthesis by Metal‐Free Carboboration of Nitriles and Utility as Building Blocks for B,N‐Heterocycles

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