D.F. van de Vondel

An ESCA study of tin compounds

Abstract X-ray photoelectron spectra have been recorded for 60 solid tin compounds. A Sn 3d 5 /2 binding energy range of 3.1 eV was found. A qualitative analysls of the retults proved that ESCA Is not suited to determine either the degree of oxidation or the coordination number of tin. A quantitative analysis with the cheleq method suggests that besides the partial charge on tin also the potential at the site of the tin atom is important.

Studies on organogermanium compounds : I. Dipole moments and NMR spectra of the methylgermanes and the methylgermanium chlorides

Abstract The molecular parameters of silicon tetrachloride and related compounds have been explained by Pauling in terms of resonance contributions of various polar structures. The resonance contributions of polar structures to the bonding in methylgermanium chlorides and methylgermanium hydrides can be studied by electrical dipole moments and PMR spectra measurements. Improvements in the syntheses of these compounds are reported and data from the measurements are tabulated.

XPS Spectra of organometallic phenyl compounds of P, As, Sb and Bi

Abstract XPS spectra of 54 organometallic compounds of group V elements with various coordinations are measured in the solid state. Core level binding energy data for the various atoms present in the molecules are given.

ESCA and Mössbauer study of compounds of gold in the oxidation states +I, +II, and +III

ESCA and 197 Au Mossbauer spectra of a series of ylide complexes of AuI, AuII, and AuIII have been recorded; the results show significant trends in the various parameters and a correlation between ESCA and Mossbauer data appears to exist.

A fourier transform 13C NMR study of phenyl-phosphorus, -arsenic, -antimony and -bismuth derivatives

Abstract 13 C NMR spectra of triphenyl-phosphine, -arsine, -stibine and -bismuthine and related metal carbonyl complexes, chalcogenides and phenyl salts have been recorded and the data are compared with literature data. The substituent effects of electron-donor and electron-acceptor substituents can be related to Hammett—Taft constants (π° R ).

CNDO/2 study of 29Si NMR chemical shifts

Abstract A CNDO-2 study of 29 Si NMR chemical shifts for compounds of the type (CH 3 ) n SiX 4- n (X = H, F, Cl) is reported. The paramagnetic screening constants σ p are given. The general variation in σ p with n agrees fairly well with the variation of the observed chemical shifts for X = H and F, but the correlation is not so good for X = Cl.

Ab initio study of the electronic structure of compounds with a double-bonded silicon atom: Part II. HNSi

Abstract Ab initio LCAOMOSCF calculations have been carried out on HNSi, with a number of different basis sets. The geometry of this molecule was optimised: R (SiN) = 1.557 A, R (NH) = 0.997 A and ∠HNSi = 180°. Using a harmonic force field, the force constants and vibrational frequencies are calculated and compared with the experimental values. The electron distribution is studied in terms of a Mulliken population analysis, and the electrical dipole moment is discussed.

The vibrational spectra of the methylbromogermanes

Abstract The IR and Raman spectra of the methylbromogermanes have been measured. Vibrational assignments are proposed based on characteristic group frequencies, rotational splitting in the IR (in gas phase) and Raman polarisation data.

Ab initio study of the electronic structure of compounds with a double bonded silicon atom: Si2H4

Abstract Ab initio LCAO-MO-SCF calculations have been performed on the compound disilene, Si2H4. The calculations indicate for the SiSi bond length an optimized value of 2.15 ». The electronic structure of the molecule is discussed in terms of a Mulliken population analysis, and it is shown that the 3d orbitals on silicon do not make a substantial contribution to the bonding.Abstract Ab initio LCAO-MO-SCF calculations have been performed on the compound disilene, Si 2 H 4 . The calculations indicate for the SiSi bond length an optimized value of 2.15 ». The electronic structure of the molecule is discussed in terms of a Mulliken population analysis, and it is shown that the 3 d orbitals on silicon do not make a substantial contribution to the bonding.

X-ray pes of some manganese carbonyl compounds

Abstract The X-ray PES spectra of a number of manganese carbonyl complexes are reported. The binding energies are interpreted as functions of the structure and