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  • Electronic Resource  (4)
  • 1,2,4,3-Thiadiazaboretidines  (1)
  • 103Rh NMR  (1)
  • 13C-NMR chemical shifts, correlation with dihedral angles CO/CO  (1)
  • Carbaborates, fusion of C2B3, C4B6 dianion  (1)
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  • Electronic Resource  (4)
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  • 1
    Electronic Resource
    Electronic Resource
    Synthese und Eigenschaften von 1,2,4,3-Thiadiazaboretidinen. Kristallstruktur des 2,4-Di-tert-butyl-3-phenyl-1,2,4,3-thiadiazaboretidins (1991)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 124 (1991), S. 47-50 
    Details
    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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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Chromophore Systeme, 1. Konformation und Lichtabsorption von Hexa-1,5-dien-3,4-dion (Divinylglyoxal) (1991)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 124 (1991), S. 821-826 
    Details
    ISSN: 0009-2940
    Keywords: α-Diketones, unsaturated ; Conformers, stable ; UV-Vis transition energies ; PE Spectroscopy ; 13C-NMR chemical shifts, correlation with dihedral angles CO/CO ; Calculations, STO-3G, MMP1 ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chromophoric Systems, 1.  -  Conformation and Absorption of Light in Hexa-1,5-diene-3,4-dione (Divinylglyoxal)Divinylglyoxal (1) is investigated by several spectroscopic and theoretical methods in order to set up a correlation between the CO/CO dihedral angle and the transition energies in unsaturated α-diketones. According to the experimental (UV, IR, 13C-NMR, PE spectroscopy and dipole moment) and theoretical (ab initio and molecular mechanics) results, 1 exists predominantly as a C2h conformer (Θco/co=180°, ΘVinyl/co=0°). The dependence of transition energies on CO/CO dihedral angles is similar in shape to that for saturated α-diketones, but is significantly shifted to lower transition energies. 13C chemical shifts respond sensitively to CO/CO dihedral angles, and the ab initio calculated curve is supported by a few experimental results.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19911240423
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Decaethyl-2,6,8,10-tetracarba-nido-decaboran(10) - Herstellung, Struktur im festen Zustand und Stabilität(1) (1991)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 124 (1991), S. 2715-2724 
    Details
    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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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Steric and Electronic Effects on the 103Rh NMR Chemical Shifts of RhI(cyclooctadiene) Compounds Bearing N-Donor Ligands (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 27-33 
    Details
    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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    Paper (German National Licenses)
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