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  • Alkyne complexes  (1)
  • Allyl ligands  (1)
  • Debye-Hückel theory  (1)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    European biophysics journal 24 (1996), S. 125-135 
    ISSN: 1432-1017
    Schlagwort(e): Membrane ; Brownian dynamics simulation ; Electrostatics ; Debye-Hückel theory ; Diffusion ; Lateral distribution
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Physik
    Notizen: Abstract Brownian dynamics simulations were performed to study the contribution of electric interactions between charged membrane components to their lateral distribution in a two-dimensional viscous liquid (bilayer lipid membrane). The electrostatic interaction potential was derived from an analytical solution of the linearized Poisson-Boltzmann equation for point charges in an electrolyte solution — membrane — electrolyte solution system. Equilibrium as well as dynamic quantities were investigated. The lateral organization of membrane particles, modelled by mobile cylinders in a homogeneous membrane separating two electrolyte solutions was described by spatial distribution functions, diffusion coefficients and cluster statistics. Disorder, local order and crystal-like arrangements were observed as a function of the particle charge, the closest possible distances between the charges and the particle density. The simulations revealed that the system is very sensitive to the position of the charges with respect to the electrolyte solution — membrane interface. Electrostatic interactions of charges placed directly on the membrane surface were almost negligible, whereas deeper charges demonstrated pronounced interaction. Biologically relevant parameters corresponded at most to local and transient ordering. It was found that lateral electric forces can give rise to a preferred formation of clusters with an even number of constituents provided that the closest possible charge-charge distances are small. It is concluded that lateral electrostatic interactions can account for local particle aggregations, but their impact on the global arrangement and movement of membrane components is limited.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 2
    ISSN: 0009-2940
    Schlagwort(e): Nickel(0) ; Alkyne complexes ; Hydrogen bonds ; Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Treatment of (cdt)Ni (cdt: cyclododeca-1,5,9-triene) with 2 equivalents of 2-methyl-4-trimethylsilyl-3-butyn-2-ol leads to the selective formation of the homoleptic complex (alkyne)4Ni3 (compound 3), which can be isolated in excellent yields. The solid-state structure of 3 exhibits three Ni centers, forming a bent Ni3 chain connected by two bridging alkynes. The other two alkynes are terminally coordinated. Additionally, the trimeric units are stabilized by three intramolecular hydrogen bonds. Two intermolecular hydrogen bonds connect the trimeric units to form a polymer rope. According to the 13C- and 1H-NMR spectra in THF the structure of the complex 3 in solution is very similar to that in the solid state. The reaction of 3 with some alkynediols and with 2,5,5-trimethylhex-3-yn-2-ol affords compounds of the type (alkyne)2Ni. Cot (cot: 1,3,5,7-cyclooctatetraene) converts 3 into [(cot)Ni]2, which in turn reacts with 2,5-dimethylhex-3-yne-2,5-diol to form the dimeric complex (alkyne)2Ni2(cot) 6. X-ray analysis of 6 reveals a very symmetrical structure in which cot connects both Ni(0) centers at opposite sides of the ring system.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 3
    ISSN: 0009-2940
    Schlagwort(e): Benzamidinate ; Zirconium complexes ; Allyl ligands ; Chemistry ; Inorganic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Complexes of the type (siam)2Zr(allyl)2 (1a) and (siam)Zr(allyl)nClm are described (2a: n = 1, m = 2; 2b: n = 2, m = 1; 2c: n = 3, m = 0; siam: N,N′ -bis(trimethylsilyl)benzamidinato group). The molecular structure of 1a shows that both allyl groups are differently bonded. One allyl ligand is η3-, the other η1-coordinated. The X-ray crystal structure of the tris-(allyl) complex 2c shows a chiral molecule with two η3-allyl ligands. The third allyl ligand is coordinated in a mode intermediate between η3 and η1, thus serving as a model for an intermediate in the η3-η1 intramolecular rearrangement of the allyl ligands observed in solution. Temperature-dependent 1H- and 13C-NMR spectra of 1a, 2b and 2c indicate a rapid η1-η3 rearrangement of the allyl groups at 60°C. At -50°C two different coordination modes of the allyl groups can be observed in the case of 2b and 2c.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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