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Electron donor?acceptor complex of ICl with diethyl ether. He I photoelectron spectroscopy and ab initio molecular orbital study

โœ Scribed by Ananthavel, Sundaravel P.; Jayaram, V.; Hegde, Manjanath S.


Book ID
120541746
Publisher
Royal Society of Chemistry
Year
1996
Tongue
English
Weight
380 KB
Volume
92
Category
Article
ISSN
0956-5000

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Electron donor-acceptor complexes of I2
โœ S. Salai Cheettu Ammal; S.P. Ananthavel; J. Chandrasekhar; P. Venuvanalingam; M. ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 308 KB

The charge-transfer complexes of 12 with the n-donors diethyl ether and diethyl sulfide were studied at the Hartree-Fock and MP2 levels. The structures were fully optimized using the 3-21G ( \* ) basis set as well as with effective core potentials. The calculations consistently yield a C2v structure