Sychev, O. F. published the artcileQuantum chemical calculation of charge transfer and quadrupole interaction constants in complexes, Computed Properties of 6443-90-9, the publication is Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya (1975), 39(12), 2675-83, database is CAplus.
The electronic structure of SbCl5.L, SnCl4.L2 (L = MeCN and ClCN), and ICl.Py complexes was calculated by using the CNDO/2 method. From the AO population, the quadrupole interaction constants, charge transfer, and charge distribution were estimated A considerable increase in the electron d. on the Cl atoms of the acceptor mols. was observed in all cases. The charge of the central atom of the acceptor was almost constant in the SbCl3.L and ICl.Py complexes but increased in SnCl4.L2. This was explained by an inaccuracy in the Sn calculation parameters. The calculated and exptl. results of the quadrupole interaction constants were in good agreement. The interaction between I and N (and Cl) atoms in the ICl.py complexes is predominantly caused by the σ orbitals.
Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya 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 C5H7NO, Computed Properties of 6443-90-9.
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https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com