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  • Wiley-Blackwell  (10)
  • American Chemical Society  (2)
  • American Institute of Physics (AIP)  (2)
  • American Association of Petroleum Geologists (AAPG)
  • Blackwell Publishing Ltd
  • 1985-1989  (14)
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  • 1
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    On the redox properties of cyclotetraphosphines. A novel dication rearrangement (1986)
    American Chemical Society
    Details
    Publication Date: 1986-11-01
    Print ISSN: 0002-7863
    Electronic ISSN: 1520-5126
    Topics: Chemistry and Pharmacology
    Published by American Chemical Society
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    PAPER CURRENT
  • 2
    Electronic Resource
    Electronic Resource
    On the redox properties of cyclotetraphosphines. A novel dication rearrangement (1986)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 108 (1986), S. 7481-7484 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00284a006
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  • 3
    Electronic Resource
    Electronic Resource
    The experimental vibrational spectra, vibrational assignment, and normal coordinate analysis of thiirane-h4 and -d4 and cis- and trans-1,2-dideuteriothiirane: Ab initio theoretical IR spectra of thiirane, thiirene, and isotopically substituted derivatives (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 4211-4227 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: This paper reports three independent studies. In the first study, the infrared band shapes and relative intensities of gaseous thiirane-d4 (ethylene sulfide-d4, C2D4S), the Raman spectrum of liquid thiirane-d4, and infrared spectra of gaseous cis- and trans-1, 2-dideuteriothiirane, (CHD)2S, are reported for the first time. The vibrational spectra of C2H4S, C2D4S, and some bands of cis-(CHD)2S are assigned from the symmetry analysis, group frequencies, infrared band shapes, and Raman polarization data. The frequencies so assigned are used to derive a modified valence force field, (MVFF), which reproduces them well, allows the remaining fundamental frequencies of cis-(CHD)2S to be found, and allows the spectrum of trans-(CHD)2S to be assigned. The MVFF is then further refined to optimize the fit to the 46 assigned frequencies of the four molecules. Twenty four nonzero force constants fit the 46 frequencies with an average error of 0.4%. The assignment is thus well based and self-consistent. Inthe second study, ab initio SCF calculations of optimum geometry, vibrational frequencies, and IR intensities of thiirane, thiirene, and a number of isotopically substituted derivatives are reported for the 6-31G*, 3-21G, and STO 3G bases. The force constants of thiirane from the 6-31G* basis are in good agreement with those of the MVFF when allowance is made for the fact that some were constrained to zero in the MVFF. The potential energy distributions from the ab initio and normal coordinate calculations agree well, with the former confirming some defects in the latter. The 6-31G* force constants multiplied by 0.80 reproduced the 46 observed frequencies with an average error of 1.4%. For thiirene and isotopic derivatives, the 6-31G* IR spectra are in much better agreement with experiment than previous results with smaller bases. In particular, significantly higher frequency C–S stretches are predicted with the 6-31G* basis. Nevertheless, a few discrepancies remain between experiment and the 6-31G* SCF results. In the third study, vibrational frequencies and IR intensities of thiirene and isotopic derivatives were evaluated at the CISD level of theory using a standard DZP basis set. In the DZP-CISD thiirene spectrum, the B1 C–H out-of-plane bend and its position relative to the A1 C–S stretch differ significantly from the 6-31G* SCF results, giving confirmation of the experimental assignments. However, the same DZP-CISD force constants predict that two low-frequency bands of thiirene-d1 are assigned incorrectly. No other significant discrepancies between theory and experiment remain for the thiirene species.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450043
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  • 4
    Electronic Resource
    Electronic Resource
    Theoretical study of the H+O3↔OH+O2↔O+HO2 system (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 2691-2697 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The key features of the H+O3 potential energy surface have been determined using ab initio quantum mechanical methods. The electronic wave function used is a multiconfiguration Hartree–Fock wave function which provides a qualitatively correct description of various reactive channels. It is found that the H+O3→HO+O2 reaction proceeds along a nonplanar pathway in which the H atom descends vertically to the plane containing the ozone molecule to form an HO3 intermediate which then undergoes fragmentation. No planar transition state for a direct O-atom abstraction could be located. The radical–radical O+HO2 reaction was found to have no energy barrier to formation of HO3 which was determined to subsequently decompose to HO+O2. The H-atom abstraction reaction O+HO2→OH+O2 was found to have a small activation energy. The dynamical implications of these findings are discussed. The results are consistent with the observed vibrational excitation of the OH product in the H+O3 reaction. The key features of the H+O3 potential energy surface are expected to be transferable to the X+O3 systems where X=Cl, OH, NO, and NH2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450342
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  • 5
    Electronic Resource
    Electronic Resource
    Einstufige Synthese von Pyrazino[1,2-a:4,5-a′]diindol-6,13-dionen (1987)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 329 (1987), S. 745-748 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19873290428
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  • 6
    Electronic Resource
    Electronic Resource
    5-Arylamino-3-brom-1,2,4-thiadiazole und 5-Arylamino-3-bromisothiazole (1987)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 329 (1987), S. 355-358 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 5-Arylamino-3-bromo-1,2,4-thiadiazoles and 5-Arylamino-3-bromo-isothiazoles
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19873290230
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  • 7
    Electronic Resource
    Electronic Resource
    Zur Reaktion von 1, 1-Dimethylthio- und 1-Dimethylamino-2-nitroethen mit dimerem Malononitril (1985)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 327 (1985), S. 328-332 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reaction of 1, 1-Dimethylthio- and 1-Dimethylamino-2-nitroethene with Malononitrile Dimer
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19853270218
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  • 8
    Electronic Resource
    Electronic Resource
    Cyclisierungen mit Arylhydrazonomalononitrilen (1989)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 331 (1989), S. 878-883 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Cyclizations with Arylhydrazono-malononitriles
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19893310526
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  • 9
    Electronic Resource
    Electronic Resource
    Übergangsmetallphosphidokomplexe. XV. (DRPE)Ni-Komplexe mit PH-haltigen η2-koordinierten Diphosphenliganden und die Diphosphorkomplexe [(DRPE)Ni]2P2 (1988)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 557 (1988), S. 45-58 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Transition Metal Phosphido Complexes. XV. (DRPE)Ni-Complexes with PH-Containing, η2-Coordinated Diphosphene Ligands and the Diphosphorus Complexes [(DRPE)Ni]2P2The complexes (DRPE)NiCl2 1 (DRPE = R2PCH2CH2PR2; R = Et: DEPE a; R = Cy: DCPE b; R = Ph: DPPE c) react with the silylphosphines (Me3Si)3P, (Me3Si)2PH, Me3SiPH2 and [(Me3Si)2P]2 to form the diphosphorus complexes [(DRPE)Ni]2P2 3a-c and the nickel(0) complexes (DRPE)2Ni 4a-c. In the reaction of 1b with Me3SiPH2 the P2H2 complex (DCPE)Ni[η2-(PH)2] 5b can be isolated at low temperature as an intermediate. Cleaving the Si—P bonds in (DRPE)Ni[η2-(PSiMe3)2] 2a, 2b with CH3OH gives also the P2 complexes 3a, 3b. Intermediates containing HP=PSiMe3 and P2H2 as ligands can be detected nmr spectroscopically. Reacting 1a-c with (Me3Si)2PP(SiMe3)CMe3 the complexes (DRPE)Ni(η2-Me3SiP=PCMe3) 7a-c containing asymmetric diphosphene ligands can be obtained. 7a reacts with CH3OH yielding the P2 complex 3a directly, while 7b with CH3OH first gives (DCPE)Ni(η2-HP=PCMe3) 8b. In solution 8b can be transformed into 3b upon heating to 80°C. N.m.r. and mass spectral data are reported.
    Notes: Die Komplexe (DRPE)NiCl2 1 (DRPE = R2PCH2CH2PR2; R = Et: DEPE a; R = Cy: DCPE b; R = Ph: DPPE c) reagieren mit den Silylphosphanen (Me3Si)3P, (Me3Si)2PH, Me3SiPH2 und [(Me3Si)2P]2 unter Bildung der Diphosphorkomplexe [(DRPE)Ni]2P2 3a-c und der Nickel(0)-Komplexe (DRPE)2Ni 4a-c. Bei der Umsetzung von 1 b mit Me3SiPH2 läßt sich der P2H2-Komplex (DCPE)Ni[η2-(PH)2] 5 b bei tiefen Temperaturen als Zwischenprodukt isolieren. Die Spaltung der Si—P-Bindungen in (DRPE)Ni[η2-(PSiMe3)2] 2a, 2b mit CH3OH führt über NMR-spektroskopisch nachweisbare Komplexe mit HP = PSiMe3- und P2H2-Liganden ebenfalls zu den P2-Komplexen 3a, 3b. Durch Umsetzungen von 1a-c mit (Me3Si)2PP(SiMe3)CMe3 sind (DRPE)Ni(η2-Me3SiP=PCMe3) 7a-c mit asymmetrischen Diphosphenliganden zugänglich. 7a reagiert mit CH3OH direkt zum P2-Komplex 3a, während 7b mit CH3OH zunächst (DCPE)Ni(η2-HP=PCMe3) 8b ergibt, das in Lösung bei 80°C zu 3b weiterreagiert. NMR-spektroskopische und massenspektrometrische Daten werden mitgeteilt.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19885570105
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  • 10
    Electronic Resource
    Electronic Resource
    Übergangsmetallphosphidokomplexe. XVI. Die Strukturen von zwei offenkettigen, PH2-verbrückten Zweikernkomplexen cp(CO)2Fe(μ-PH2)MLn (MLn = Fe(CO)4, MnMecp(CO)2) (1988)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 557 (1988), S. 59-68 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Transition Metal Phosphido Complexes. XVI. Structures of two Open-Chain, PH2-Bridged Bimetallic Complexes cp(CO)2Fe(μ-PH2)MLn (MLn = Fe(CO)4, MnMecp(CO)2)cp(CO)2Fe(μ-PH2)Fe(CO)4 1 crystallizes monoclinic in the space group P21/c with a = 733.6 pm, b = 1089.8 pm, c = 1761.6 pm, β = 99.65°, and Z = 4 formula units. The bond distances of the bridging phosphorus atom to the two iron units Fe(1)(CO)4 and cp(CO)2Fe(2) differ with 229.0 pm (P—Fe(1)) and 226.5 pm (P—Fe(2)), respectively, only slightly. The angle Fe(1)—P—Fe(2) is with 124.8° surprisingly large for four-coordinate phosphorus. The coordination at Fe(1) is trigonal bipyramidal with axial phosphorus. The ligand sphere at Fe(2) corresponds to the so-called “piano stool” arrangement.cp(CO)2Fe(μ-PH2)MnMecp(CO)2 2 crystallizes monoclinic in the space group P21 with a = 750.1 pm, b = 2234.5 pm, c = 974.1 pm, β = 106.23°, and Z = 4 formula units. The P—Fe bond distance is found to be 230.0 pm, the P—Mn bond distance 224.3 pm. The angle Fe—P—Mn is with 126.8° even somewhat larger than the corresponding angle in 1. Including the bridging PH2-group both transition metals of 2 achieve a kind of “piano stool” arrangement for their ligand sphere.
    Notes: cp(CO)2Fe(μ-PH2)Fe(CO)4 1 kristallisiert monoklin in der Raumgruppe P21/c mit a = 733,6 pm, b = 1089,8 pm, c = 1761,6 pm, β = 99,65° und Z = 4 Formeleinheiten. Die Bindungsabstände des verbrückenden Phosphoratoms zu den beiden Eisengruppierungen Fe(1)(CO)4 und cp(CO)2Fe(2) unterscheiden sich mit 229,0 pm (P—Fe(1)) und 226,5 pm (P—Fe(2)) nur wenig. Der Winkel Fe(1)—P—Fe(2) ist mit 124,8° für vierfach koordinierten Phosphor überraschend groß. Die Koordination an Fe(1) ist trigonal bipyramidal mit axialem Phosphor. Die Ligandsphäre an Fe(2) entspricht der sogenannten „Klavierstuhl“-Anordnung.cp(CO)2Fe(μ-PH2)MnMecp(CO)2 2 kristallisiert monoklin in der Raumgruppe P21 mit a = 750,1 pm, b = 2234,5 pm, c = 974,1 pm, β = 106,23° und Z = 4 Formeleinheiten. Der P—Fe-Bindungsabstand beträgt 230,0 pm, der P—Mn-Bindungsabstand 224,3 pm. Der Winkel Fe—P—Mn ist mit 126,8° sogar noch etwas größer als der entsprechende Winkel in 1. Durch die verbrückende PH2-Gruppe erreichen beide Übergangsmetalle in 2 eine Art „Klavierstuhl“-Anordnung für ihre Ligandsphäre.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19885570106
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