Bowmaker, Graham A. published the artcileAn SCF-MS-Xα study of the bonding and nuclear quadrupole coupling on 1:1 complexes of amines with diatomic halogens and interhalogens, Name: Pyridine Iodochloride complex, the publication is Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics (1987), 83(12), 2211-23, database is CAplus.
SCF-MS-Xα calculations of the electronic structure of the 1:1 complexes of pyridine with I2, IBr, and ICl, and of the 1:1 trimethylamine-I2 complex were carried out to investigate the bonding and nuclear quadrupole coupling in these mols. Good agreement (to within 10% in most cases) was obtained between the calculated and observed halogen nuclear quadrupole coupling constants for these mols. The agreement in the case of the nitrogen quadrupole coupling parameters was not as good, but the calculations do support some of the previously reported conclusions concerning the changes in the nitrogen orbital populations which occur upon complex formation. The results essentially support previous conclusions, based on analyses of the exptl. quadrupole coupling data by using the Townes-Dailey method, concerning the extent of charge transfer and the distribution of the transferred charge in these mols. They are, however, at variance with some of the results obtained from chem. shifts in the photoelectron spectra. The elec. dipole moments of the mols. were also calculated These are â?0% higher than the highest reported exptl. values, but show the expected trends from one compound to another.
Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C5H5ClIN, Name: Pyridine Iodochloride complex.
Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com