Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation

Schoeller W, Sundermann A (1998)
INORGANIC CHEMISTRY 37(12): 3034-3039.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
According to quantum chemical calculations, nitrido chlorides constituted from d(6)transition metals form ring structures which are best described as weak donor-acceptor complexes between the lone pair at nitrogen and the empty d orbitals at the transition metal. The stabilities of the ring structures increase in the order Cr < Mo < W. The transition metal Cr forms only endothermic ring systems, and these in turn decompose into monomers. A comparison of several homologous oligomers of NMoCl3 shows maximum stability for the tetramer, in agreement with the experimental findings. This particular stability of the tetramer is due to a perfect alignment of the nitrogens between two metal centers. The vibrational analyses reveal that the character of the monomers is nearly conserved in the ring systems. An analysis of the electron densities on the basis of Ender's method of atoms in molecules as well as of the natural bond orbitals (NBO) substantiates the weak ring stabilities.
Erscheinungsjahr
1998
Zeitschriftentitel
INORGANIC CHEMISTRY
Band
37
Ausgabe
12
Seite(n)
3034-3039
ISSN
0020-1669
eISSN
1520-510X
Page URI
https://pub.uni-bielefeld.de/record/1625364

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Schoeller W, Sundermann A. Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation. INORGANIC CHEMISTRY. 1998;37(12):3034-3039.
Schoeller, W., & Sundermann, A. (1998). Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation. INORGANIC CHEMISTRY, 37(12), 3034-3039. doi:10.1021/ic9712129
Schoeller, W., and Sundermann, A. (1998). Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation. INORGANIC CHEMISTRY 37, 3034-3039.
Schoeller, W., & Sundermann, A., 1998. Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation. INORGANIC CHEMISTRY, 37(12), p 3034-3039.
W. Schoeller and A. Sundermann, “Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation”, INORGANIC CHEMISTRY, vol. 37, 1998, pp. 3034-3039.
Schoeller, W., Sundermann, A.: Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation. INORGANIC CHEMISTRY. 37, 3034-3039 (1998).
Schoeller, Wolfgang, and Sundermann, A. “Ring structure formation in transition-metal nitrido chlorides by donor-acceptor formation”. INORGANIC CHEMISTRY 37.12 (1998): 3034-3039.