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Coordination number
From Wikipedia, the free encyclopedia
In chemistry, the coordination number (c.n.), as defined originally in 1893 by Alfred Werner, is the sum of the total number of neighbors of a central atom in a chemical compound and the number of lone pairs on it[1] [2]. In methane the coordination number for the carbon atom is 4. In inorganic chemistry the number of sigma bonds between ligand and the central atom count but not the number of pi bonds.
In materials science, the bulk coordination number is the number of atoms touching any other atom in a crystal lattice. It differs significantly from the chemistry definition because while diamond (which is entirely made of carbon) has a coordination number of 4, graphite (which is also entirely made out of carbon) has a coordination number of 3. It differs from the surface coordination number which is always less than the bulk coordination number. The surface coordination number is dependent on which Miller index the surface uses. In a body-centered cubic (BCC) crystal, the bulk coordination number is 8, whereas for the (100) surface, the surface coordination number is 4. The highest coordination number is shown by HCP structure which is 12 which corresponds to the theoretical limit of the kissing number problem.
Examples of high coordination number compounds are uranium and thorium bidentate nitrate-coordinated cluster compounds U(NO3)62- and Th(NO3)62-. When the surrounding ligands get smaller even higher coordination numbers are possible. One in silico study found a particularly stable PbHe152+ ion comprised of a central lead ion coordinated with no less than 15 helium atoms.[3].
- ^ De, A.K: "A Text Book of Inorganic Chemistry", page 88. New Age International Publishers, 2003.
- ^ IUPAC Compendium of Chemical Terminology 2nd Edition (1997)
- ^ The Search for the Species with the Highest Coordination Number Andreas Hermann, Matthias Lein, and Peter Schwerdtfeger Angew. Chem. Int. Ed. 2007, 46, 2444 –2447 DOI:10.1002/anie.200604148