Electron-diffraction investigation of 1,6-dicarbaclosohexaborane (6)

Mastryukov, V. S.; Дорофеева, О. В.; Vilkov, L. V.; Golubinskii, A. V.; Zhigach, A. F.; Laptev, Vladimir T.; Petrunin, A. B.

doi:10.1007/bf00747124

Cited by 5 publications

(2 citation statements)

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“…We are aware of only one other gas phase measurement of an aluminumhydrogen bond length. An electron diffraction study of H3A1-[N(CH3)3]2, the 2:1 adduct of trimethylamine and alane, reports z'hai = 1.53(3) Á 46 In the solid state, an X-ray crystal structure of [H3Al(NMe2CH2Ph)]2 finds aluminum-hydrogen bond lengths of 1.54(3) and 1.57(3) Á. 47 It is interesting that the ab initio study at the DZP CCSD level computes rAm = 1.568 Á in A1H3 and z*Aih = 1.585 Á in H3A1NH3.21 This calculated increase of 0.017 A upon complexation of A1H3 in H3A1NH3 is similar to the observed approximately 0.02 Á increase in the boron-hydrogen bond distance for complexation of BH3 in both H3-BNH3 and H3BN(CH3)3 noted above.…”

Section: Discussionmentioning

confidence: 99%

Microwave Study of the CVD Precursor Trimethylamine-Alane, (CH3)3NAlH3: Rotational Spectra, 27Al and 14N Nuclear Quadrupole Coupling Constants, and Molecular Structure

Warner¹,

Wang²,

Ward³

et al. 1994

J. Phys. Chem.

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The rotational spectra of six isotopomers of trimethylamine-alane have been observed by pulsed beam Fourier transform microwave spectroscopy. Hyperfine analyses of the symmetric top isotopomers, (CH&NAlH3, (CH3)3NAlD3, and (CH3)3l5NA1H3, determined the spectroscopic constants, BO, DJ, DJK, eQq(27A1), and eQq(14N). For (CH3)3NAlH3, BO = 2745.113(1) MHz, DJ = 643(24) Hz, DJK = 1372(250) Hz, eQq(27A1) = 25.032(6) MHz, and eQq(14N) = -3.777(5) MHz. Spectral assignments have also been made for the asymmetric top isotopomers, [(CH3)2l3CH3]NAlH3, (CH3)3NAlH2D, and (CH3)3NAlHD2. Substitution structural parameters of rNc = 1.487(2) and 6°C = 109.9(2)' are obtained from the microwave moments of inertia. With the assumption of rAlN = 2.063(7) A from an electron diffraction structure reported previously (Almenningen, A.; Gundersen, G.; Haugen, T.; Haaland, A. Acta Chem. Scand. 1972, 26, 3928) microwave substitution coordinates for the aluminum hydrogens give THAI = 1.585(2) A and OHAN = 98.1(6)'. The structure of (CH&NAlH3 is compared to the related complexes, H3A1NH3, H3NBH3, and (CH&NBH3. In the same series, bond orders calculated from measured values of eQq(27A1) and eQq("B) are compared to A1-N and B-N dative bond dissociation energies.

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Section: Discussionmentioning

confidence: 99%

Microwave Study of the CVD Precursor Trimethylamine-Alane, (CH3)3NAlH3: Rotational Spectra, 27Al and 14N Nuclear Quadrupole Coupling Constants, and Molecular Structure

Warner¹,

Wang²,

Ward³

et al. 1994

J. Phys. Chem.

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“…This picture also helps to explain the finding that so far no pKb-value could be measured for the triaziridines 1, 3, and 5 under ordinary conditions*) suggesting a rather low basicity of these compounds. It is also consistent with *) Titration with aqueous HCI (c = 0.1 mol/l) in EtOH/H,O 1 : 1. geometry calculations on 3-methyldiaziridine obtained from electron-diffraction data [14], which show that the H-atoms at the N-and C-atoms are located at quite different angles with respect to the plane of the ring:…”

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confidence: 99%

¹⁵N‐NMR Spectroscopic Characterization of Triaziridines

Hilpert

Hollenstein

1986

Helvetica Chimica Acta

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~~ ~~ ~~ ~~The "N-NMR spectra of cis-and trun.s-2,3-dialkyl-substituted triaziridines are reported. The assignment of the "N-NMR resonances is described, and the chemical-shift and coupling data are compared with those of aziridines and diaziridines. The 'J(N,H) coupling constants allow one to deduce the relative configuration of the involved N-atom. In CDCI,, a 'J(N,H) value of 58.1 * 0.5 Hz is assigned to an N-H bond cis to two lone-pairs of electrons at neighboring N-atoms, i.e. to the cis,truns-triaziridines'), and a value of 51.7 i 0.5 Hz is assigned to a N-H bond cis to only one lone-pair of electrons, i.e. to truns,cis-triaziridines').

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