𝔖 Bobbio Scriptorium
✦   LIBER   ✦

UVPES and ab Initio Molecular Orbital Studies on the Electron Donor−Acceptor Complexes of Bromine with Methylamines †

✍ Scribed by Salai Cheettu Ammal, S.; Ananthavel, S. P.; Venuvanalingam, P.

Book ID
127064813
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
178 KB
Volume
101
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab Initio Molecular Orbital Calculations
Ab Initio Molecular Orbital Calculations on Allylic 1,3-Strain of Electron-Donor- and Electron-Acceptor-Substituted Alkenes
✍ Tietze, Lutz F. ;Schulz, Gerhard 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 427 KB 👁 1 views

## Abstract Ab initio calculations on the conformations of several electron‐rich and electron‐poor alkenes 2, 8–15 were performed up to the MP2/6–31G^\*^/RHF/6–31G^\*^ level. It was proven that allylic 1,3‐strain can be traced back to steric interactions between the allylic center and the (Z) subst

Electron donor-acceptor complexes of I2
Electron donor-acceptor complexes of I2 with diethyl ether and diethyl sulphide. An ab initio MO study
✍ 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