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  • 1
    Electronic Resource
    Electronic Resource
    Charge and spin transfer and optical properties in conducting porphyrin compounds (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 403-417 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Anisotropic materials made from stacked macrocycles have potential applications as organic conductors and nonlinear optical materials. Using self-consistent-field local density theory, we have been exploring the ground and excited state electronic structures of metal substituted tetraazaporphyrins, phthalocyanines, and tetrabenzoporphyrins. The calculated and measured polarized optical absorption peaks are in satisfactory agreement. The theoretical dipole oscillator strengths provide absolute intensities for verification of transition assignments, which are helpful for identifying low-lying states and excitation mechanisms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461442
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  • 2
    Electronic Resource
    Electronic Resource
    Recrystallization behavior of cellulose and lignocellulose from Pinus massoniana (1993)
    Springer
    Wood science and technology 27 (1993), S. 461-467 
    Details
    ISSN: 1432-5225
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary In an X-ray diffraction investigation, the recrystallization behavior of ball-milled Chinese southern pine wood was found to differ from that of cellulose. The crystallinity of lignocellulose milled for a very long time and recrystallized by wetting in water did not decrease with increasing milling time as was the case with milled cellulose. In addition, it appeared that the presence of lignin tended to restrict the amorphous cellulose produced by milling from recrystallizing into Cellulose II, whereas it had no influence on the recrystallization into Cellulose I. These results were discussed in the context of the mechanism of the conversion of Cellulose I to Cellulose II.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00193869
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  • 3
    Electronic Resource
    Electronic Resource
    Electronic structure and optical properties of a tin-encapsulated nickel porphyrazine compound (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 657-671 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The recently synthesized metal-encapsulated porphyrazine compound, [Sn(t-Bu)2]4-star-Ni(porphyrazine)-S8, shows very interesting structural and optical absorption features compared with other metal-centered porphyrazines, e.g., metal phthalocyanines (Pc). Using self-consistent-field local density theory, we studied the ground-state and excited-state electronic structure of this molecule and compared it with its metal phthalocyanine analog NiPc. The theoretical optical spectra including oscillator strengths are in good agreement with experimental absorption and show that the characteristic transitions at the so-called Soret band in NiPc are red-shifted in the new compound. © 1994 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560520308
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    Paper (German National Licenses)
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