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  • Trichloride ion, energy surface of ∼  (1)
  • tin(IV)tetrasulfide  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 42 (1976), S. 237-246 
    ISSN: 1432-2234
    Keywords: Trichloride ion, energy surface of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A partial energy surface for the trichloride ion has been calculated via anab initio SCF molecular orbital method. The significant feature of the surface is the existence of a single minimum, indicating the isolated Cl 3 − ion exists in a symmetrical (D∞ h ) configuration. The calculated Cl-Cl bond length is 0.26 Å longer than the Cl-Cl bond length calculated for the Cl2 molecule. The calculated change distribution is in excellent agreement with that deduced from NQR data. Standard CNDO calculations gave a very poor description of the bonding in the trichloride ion. However, by reparameterizing β to give the correct bond distance for the Cl2 molecule and excludingd orbitals, excellent agreement between the CNDO andab initio results was obtained.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1572-8854
    Keywords: Hydrated salt ; tin(IV)tetrasulfide ; chain structure ; [Na4(H2O)14]SnS4
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [Na4(H2O)14]SnS4 is obtained by the reaction of Na2S·9H2O with SnCl4·5H2O in aqueous solution at 21°C. It crystallizes in the space group Cc with a = 8.621(2) Å, b = 23.543(5) Å, c = 11.358(2) Å, β = 110.58(3)° and V = 2158.2 Å3 with Z = 2. Refinement of 3826 unique reflections from a racemically twinned crystal yielded a final value of R1 = 0.0464 (|F| 〉 4σ) and wR2 = 0.104 and a goodness of fit of 1.125. The structure consists of a Na+/H2O network supporting the tetrahedral SnS4 4− anions. Water molecules or sulfide ions octahedrally coordinate each of the four crystallographically independent Na+ ions. The dominant feature of the structure is the existence of zigzag chains of edgeshared Na octahedra. These chains are tied together into a three-dimensional network by bridging Na(H2O)6 octahedra and individual H2O molecules.
    Type of Medium: Electronic Resource
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