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Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N 2 O and Reactivity

✍ Scribed by Paulat, Florian; Kuschel, Torben; Näther, Christian; Praneeth, V. K. K.; Sander, Ole; Lehnert, Nicolai


Book ID
126297516
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
426 KB
Volume
43
Category
Article
ISSN
0020-1669

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## Abstract A novel nano‐porous oxide 12CaO·7Al~2~O~3~ (C12A7) can host a large concentration of interstitial ions, which are present in high concentrations of the order of 10^21^ cm^–3^. We use __ab initio__ calculations and an embedded cluster approach to investigate the effect of the interstitia