PREPARATION AND STRUCTURAL CHARACTERIZATION OF THE CHARGE-TRANSFER COMPLEX (12[ANE]S-4.I-2)INFINITY (12[ANE]S-4=1,4,7,10-TETRATHIACYCLODODECANE)

Authors
BAKER PK HARRIS SD DURRANT MC HUGHES DL RICHARDS RL
Citation
Pk. Baker et al., PREPARATION AND STRUCTURAL CHARACTERIZATION OF THE CHARGE-TRANSFER COMPLEX (12[ANE]S-4.I-2)INFINITY (12[ANE]S-4=1,4,7,10-TETRATHIACYCLODODECANE), Acta crystallographica. Section C, Crystal structure communications, 51, 1995, pp. 697-700
Citations number
14
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
51
Year of publication
1995
Part
4
Pages
697 - 700
Database
ISI
SICI code
0108-2701(1995)51:<697:PASCOT>2.0.ZU;2-4
Abstract
The X-ray crystal structure of the new addition compound (12[ane]S-4.I -2)infinity, C8H16S4.I-2, is reported. The I-2 moieties bridge symmetr ically between thioether groups; the I-I and S ... I bond lengths of 2 .736(1) and 3.220(3) Angstrom, respectively, indicate relatively weak charge transfer The nature of the interaction has been probed by semi- empirical molecular-orbital calculations using the PM3 method.