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Synthese und Eigenschaften von 1,2,4,3-Thiadiazaboretidinen. Kristallstruktur des 2,4-Di-tert-butyl-3-phenyl-1,2,4,3-thiadiazaboretidins (1991)

Habben, Carl D. ; Heine, Andreas ; Sheldrick, George M. ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 124 (1991), S. 47-50

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ISSN: 0009-2940

Keywords: Sulfur diimides ; 1,3-Cycloaddition, reductive ; 1,2,4,3-Thiadiazaboretidines ; Chemistry ; Inorganic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Synthesis and Properties of 1,2,4,3-Thiadiazaboretidines. Crystal Structure of 2,4-Di-tert-butyl-3-phenyl-1,2,4,3-thiadiazaboretidineReaction of sulfur diimides with alkyl(aryl)bis(methylthio)boranes leads to reductive 1,3-cycloaddition of the NSN sequence with formation of the 1,2,4,3-thiadiazaboretidines 2a-g. NMR (1H, 11B, 13C, 15N, 29Si), mass spectra and the results of the X-ray analysis of 21 are reported and discussed. The 11B chemical shifts have been calculated for 3-phenyl-1,2,4,3-thiadiazaboretidine and some related model compounds by the IGLO method and correlate acceptably with the experimental values.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cber.19911240108

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Decaethyl-2,6,8,10-tetracarba-nido-decaboran(10) - Herstellung, Struktur im festen Zustand und Stabilität(1) (1991)

Köster, Roland ; Seidel, Günter ; Wrackmeyer, Bernd ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 124 (1991), S. 2715-2724

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ISSN: 0009-2940

Keywords: Carbaborane, nido-C4B6, organosubstituted ; Carbaborates, fusion of C2B3, C4B6 dianion ; Carbaborane, C4B6, structure, phase transformations ; Calculations, ab initio ; Chemistry ; Inorganic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Decaethyl-2,6,8,10-tetracarba-nido-decaborane(10) - Preparation, Structure in the Solid State, and Stability[1]The title compound 6, prepared in two steps from the pentaethyl-1,5-dicarba-closo-pentaborane(5) (1), is characterized at 103 K as the low-temperature solid phase LT-6 by a single-crystal X-ray structure analysis; 6 reacts with alkali metals (K, Cs) to form the C4B6Et10 dianion (62-) which is easily oxidized to 6 (e.g. with I2, FeCl2, HgCl2). Ab initio MO and IGLO calculations of compound 6 have been carried out.

Additional Material: 4 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cber.19911241212

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Steric and Electronic Effects on the 103Rh NMR Chemical Shifts of RhI(cyclooctadiene) Compounds Bearing N-Donor Ligands (1999)

Donkervoort, Johannes G. ; Bühl, Michael ; Ernsting, Jan Meine ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 27-33

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ISSN: 1434-1948

Keywords: 103Rh NMR ; Rhodium complexes ; Nitrogen ligands ; Chemical-shift computation ; Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: In order to study electronic and steric effects on δ(103Rh), the103Rh-NMR spectra of a series of [Rh(cod)L2] complexes (with L = nitrogen, oxygen, or chloride) have been measured by gradient-enhanced HMQC (1H,103Rh) NMR spectroscopy. Density functional computations of representative examples have been performed at the GIAO-B3LYP level of theory. The obtained experimental values of 103Rh shifts fit the generally observed trend of coordinating ligands in the first coordination sphere of the metal: P 〈 N 〈 O. Calculated 103Rh shifts agreed to within 8 % with experimental values. The computational results indicate that the Rh-N bond distance has a larger influence on the chemical shift than the N-Rh-N angle.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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