Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.jorganchem.2013.01.019
Title: Infrared studies of halide binding with CpMn(CO)2X complexes where X = ligands bearing the O-H or N-H group
Authors: Kee, J.W.
Fan, W.Y. 
Keywords: Computational chemistry
Halide sensing
Manganese
Issue Date: 1-Apr-2013
Citation: Kee, J.W., Fan, W.Y. (2013-04-01). Infrared studies of halide binding with CpMn(CO)2X complexes where X = ligands bearing the O-H or N-H group. Journal of Organometallic Chemistry 729 : 14-19. ScholarBank@NUS Repository. https://doi.org/10.1016/j.jorganchem.2013.01.019
Abstract: Halide ion binding to the OH group of CpMn(CO)2(3- hydroxypyridine) complex has been investigated using infrared absorption spectroscopy via the νCO bands. Fluoride ion interaction in chloroform causes the largest redshift of up to 12 cm-1. The infrared bands of CpMn(CO)2L complexes containing N-H groups are redshifted to a similar extent. The displacement of the 3-hydroxypyridine ligand from the manganese complex by PPh3 is prevented because of a Mn-N bond strengthening effect induced by OH⋯F- binding. Density functional calculations also lend support to the large effect that OH⋯F- interaction has on the magnitude of the νCO redshift and Mn-N bond energy of CpMn(CO)2(3- hydroxypyridine). © 2013 Elsevier B.V. All rights reserved.
Source Title: Journal of Organometallic Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/94050
ISSN: 0022328X
DOI: 10.1016/j.jorganchem.2013.01.019
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