Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • Hydrated salt  (1)
  • Trichloride ion, energy surface of ∼  (1)
  • magnetochemistry  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Anab initio energy surface for the trichloride ion, Cl 3 − (1976)
    Springer
    Theoretical chemistry accounts 42 (1976), S. 237-246 
    Details
    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
    URL: http://dx.doi.org/10.1007/BF00574446
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Crystal structure of 1,4,8,12-tetraazacyclopentadecane copper(II) tribromocuprate(I) (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 261-265 
    Details
    ISSN: 1572-8854
    Keywords: Bimetallic chain-type compounds ; magnetochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound is a mixed valence compound obtained as one of the products of the reaction of Cu(15-ane N4)Br2 with CoBr2·6H2O in water/acetone solvent (15-ane N4=1,4,8,12-tetraazacyclopentadecane). The compound is tetragonal, space group P42/mbc witha=16.675(2)Å,c=13.185(3)Å,V=3666(1)Å3, withZ=8, for pcalc=2.106 g/cc. Refinement of 674 unique observed reflection yielded final values ofR=0.088 andR w=0.083. The compound contains chains of alternating Cu(15-ane N4)2+ cations and CuBr 3 2− anions. The chains run perpendicular to thec axis, and are arranged in alternate layers running parallel toa andb. The chains lie athwart the mirror planes atz=0 andz=1/2, with disorder observed for both the (15-ane N4) rings and the CuBr 3 2− anions. The Cu(II) ion is coordinated by the tetradentate macrocycle to yield an approximate square planar coordination. The CuBr 3 2− anions are nearly planar with Cu−Br(ave.)=2.37Å. Long semi-coordinate Cu(II)...Br bonds of ∼3.0Å link the cations and anions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01677779
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Redetermination of the crystal structure of [Na4(H2O)14]SnS4: a compound containing a novel chain of aquated sodium ions (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 405-410 
    Details
    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
    URL: http://dx.doi.org/10.1023/A:1009534006447
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...