Matrix-Untersuchungen zu monomerem Kupfer(I)-chlorid und seinen Komplexen mit N2 und PN IR-spektroskopische Nachweise und ab-initio Rechnungen |
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Authors: | H. S. Plitt,H. Schn ckel,M. B r,R. Ahlrichs |
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Affiliation: | H. S. Plitt,H. Schnöckel,M. Bär,R. Ahlrichs |
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Abstract: | Matrix-Investigations on Monomeric Copper(I) Chloride and its Complexes with N2 and PN Ligands. IR Spectroscopic Results and ab-initio Calculation In solid argon the reaction of monomeric CuCl with N2 yields ClCuN2. On the basis of two absorptions in the ir-spectrum and their corresponding isotopic shifts (14/15N) and with the help of a normal coordinate analysis, linearity of the molecule has been deduced. These results are confirmed by large scale ab-initio Calculations (CPF, MP2). Reaction of monomeric CuCl with molecular PN under matrix condition is shown to give rise to new absorptions in the IR spectrum which arev assigned to a linear molecule ClCuNP. |
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Keywords: | Matrix-investigations copper(I) chloride N2 PN Complexes i. r. spectra ab-initio calculations |
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