𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular Orbital Studies of the Protonation of Diazomethane

✍ Scribed by Hermann M. Niemeyer

Publisher
John Wiley and Sons
Year
1976
Tongue
German
Weight
478 KB
Volume
59
Category
Article
ISSN
0018-019X

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

CNDO/Z, MINDO/3 and ab initio molecular orbital calculations indicate that C‐protonated diazomethane is more stable than N(end)‐protonated diazomethane. Extrapolation of these results to solution chemistry as well as the kinetic references of protonation of diazomethane are discussed.

πŸ“œ SIMILAR VOLUMES

Molecular orbital studies of polyethylen
Molecular orbital studies of polyethylene deformation
✍ Buckley Crist; Peter G. HereΓ±a πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 749 KB

Young's modulus E for polyethylene in the chain direction is calculated with molecular orbital theory applied to n-alkanes C3Hs through n-Cl3HZ8 and analyzed with the clusterdifference method. Semiempirical CNDO, MNDO, and AM1 models and ab initio HF/ STO-3G, HF/6-31G, HF/6-31G\*, and MP2/6-31G\* mo

Proton mobility in protonated peptides:
Proton mobility in protonated peptides: a joint molecular orbital and RRKM study
✍ IstvΓ‘n PΓ‘l Csonka; BΓ©la Paizs; GyΓΆrgy Lendvay; SΓ‘ndor Suhai πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 411 KB

The mobile proton model was critically evaluated by using purely theoretical models which include quantum mechanical calculations to determine stationary points on the potential energy surface (PES) of a model compound, and Rice-Ramsperger-Kassel-Marcus (RRKM) calculations to determine the rate cons