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Ionisation energies and electronic structures of the phenyl 1,3-dipoles

✍ Scribed by J. Bastide; J.P. Maier; T. Kubota


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
765 KB
Volume
9
Category
Article
ISSN
0368-2048

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πŸ“œ SIMILAR VOLUMES


Ionisation Energies and the Electronic S
✍ John P. Maier; Jean-FranΓ§ois Muller; Tanekazu Kubota πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 German βš– 835 KB

## Abstract The ionisation energies and the HeI photoelectron spectra of the N‐oxides of diazabenzenes are presented. The valence electronic structures of the N‐oxides are discussed in view of the ionisation energies, and the profiles, of the bands. The interpreted data are compared to calculations

Ionisation Energies and the Electronic S
✍ John P. Maier; Jean-FranΓ§ois Muller; Tanekazu Kubota; Masumi Yamakawa πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 German βš– 822 KB

## Abstract The HeI photoelectron spectra of the N‐oxides of the azanaphthalenes **1**–**5** and of the azaanthracenes **6**, **7** were ascertained. The inferred ionisation energies, and the assignments of the spectra, are presented and are discussed in respect to the electronic structures of the

The electronic structure of 1,3-dipoles:
✍ David L. Cooper; Joseph Gerraatt; Mario Raimondi; Stuart C. Wright πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 632 KB

Spin-coupled theory is applied to the four xelectrons of the 1,3-dipoles nitrone and diazomethane. The orbitals for both molecules take the form of distorted out-of-plane 2p functions, but one of the orbitals in nitrone is delocalized over two centres. The description is dominated by one mode of cou

The Structures and Energies of Phosphaal
✍ Matthias Hofmann; Paul von RaguΓ© Schleyer; Manfred Regitz πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 911 KB

CH) 3 P 3 structures have been investigated by ab initio favored for the [4+2] cycloadditions of HCP to 1,2-and 1,3diphosphete (to give triphospha Dewar benzenes); the (MP4SDTQ/6-31+G\*\*//MP2(fu)/6-31G\*) and DFT (B3LYP/6-311+G\*\*) methods. The framework is the main factor computed activation barr