𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electrostatic molecular potential analysis of H2AlOH and H2AlCl lewis acidities

✍ Scribed by A. Okniński; S. Pasynkiewicz; K.B. Starowieyski

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
269 KB
Volume
20
Category
Article
ISSN
0020-1693

No coin nor oath required. For personal study only.

✦ Synopsis

The Electrostatic Molecular Potential approach is used to estimate the influence of the oxygen and chlorine valence electrons on the Lewis acidity of the aluminium atoms in Hz AlOH and H,AlCl respectively.

The potentials are computed using the electron density distribution arising from CNDO/2 wave functions.

📜 SIMILAR VOLUMES

Electrostatic molecular potential analys
Electrostatic molecular potential analysis of electron density distribution in Al2H6
✍ A. Okninski; S. Pasynkiewicz 📂 Article 📅 1979 🏛 Elsevier Science ⚖ 349 KB

The Electrostatic Molecular Potential approach is used to determine reaction channels for A12H6. The character of bonding in A12H6 is also analysed and discussed in terms of the highest occupied molecular orbitals.