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An ab Initio MO Study of Silver Triflate Complexation in [2.2.1]Cyclophane π-Prismands

✍ Scribed by Saarenketo, Pauli; Suontamo, Reijo; Rissanen, Kari


Book ID
127368571
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
316 KB
Volume
21
Category
Article
ISSN
0276-7333

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Electron donor-acceptor complexes of I2
✍ S. Salai Cheettu Ammal; S.P. Ananthavel; J. Chandrasekhar; P. Venuvanalingam; M. 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 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