𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ionization energies and electronic structure of N3P3Cl6 as determined by UV photoelectron spectroscopy and the Xα scattered wave method

✍ Scribed by L. Noodleman; N.P.C. Westwood; K.A.R. Mitchell

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
596 KB
Volume
58
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Ionization enerses habe been measured for N3PsC16 by He I photoelectron spectroscopy and they are compared with values caiadated with the overlapping-spheres version of the Xa scattered wave method: the average discrepancy is less than 0.4 eV. The navefunctions and associated charge distributions are used for assessing models of ring x bonding, ar.d comparisons are made with previous calculations for N3P3F6 and N4P4Fa. The calculated charge distr~%utionr are related to trends in measured core electron binding energies, and have important implications for the interpretation of Faraday efiect measurements on cyclic phosphazenes.

📜 SIMILAR VOLUMES

A study of the core electron binding ene
A study of the core electron binding energies of ozone by x-ray photoelectron spectroscopy and the Xα scattered wave method
✍ M.Salim Banna; David C. Frost; Charles A. McDowell; Louis Noodleman; Barry Wallb 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 447 KB

The Ols core spectrum of ozone has been obtained with AI Kc~ X-rays. The central oxygen I s binding energy is 546.2 eV while the terminal oxygen 1 s binding energy is 541.5 eV; this places the central oxygen 1 s at 1.0 eV higher binding energy than that of OF2-X~SW calculations predict the correct b

X-ray photoelectron, X-ray emission and
X-ray photoelectron, X-ray emission and UV spectra of SiO2 calculated by the SCF Xα scattered wave method
✍ J.A. Tossell; D.J. Vaughan; K.H. Johnson 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 529 KB

## Photoionization, X-ray emission and UV excitation energies are calculated for SiOa by the SCF Xcc method and the transition-state procedure. In all cases agreement between calculation and experiment is good. The SiOz-cluster is found to be adequntc for describing localized excitations in quartz