Journal of Mathematics
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Studies in the Area of Physical Chemistry Reported from University of Glasgow
January 25th, 2011
Investigators publish new data in the report 'Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(-H)(-COMe)(CO)10.' "The charge density in the tri-iron methoxymethylidyne cluster Fe(3)(-H)(-COMe)(CO)(10) (1) has been studied experimentally at 100 K and by DFT calculations on the isolated molecule using the Quantum Theory of Atoms in Molecules (QTAIM). The COMe ligand acts as a nearly symmetric bridge toward two of the Fe atoms (Fe-C=1.8554(4), 1.8608(4) A) but with a much longer interaction to the third Fe atom, Fe-C=2.6762(4) A," researchers in Scotland report.
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Source: Journal of Mathematics (2011-01-25)