Spectroscopic characterisation of n-octanohydroxamic acid and potassium hydrogen n-octanohydroxamate

Abstract: The crystal structure and spectroscopic characteristics of n-octanohydroxamic acid and the potassium compound of that acid have been investigated by XRD, XPS, FTIR and Raman spectroscopy. XRD revealed that the acid is in the keto Z conformation with the alkyl chains oriented along the z-direction and hydrogen bonding between hydroxamate moieties. Vibrational spectra confirm this conclusion. Chemical analysis, XRD and XPS established that the potassium compound is the acid salt KH(C7H9CONO)2. The crystal structure showed that the hydroxamate groups are also in the keto Z conformation and this is supported by vibrational spectra. In the acid salt, the two hydroxamate moieties are connected by a symmetrical O–H–O short hydrogen bonded linkage between the two hydroxamate oxygen atoms and this explains the absence of a discernible O–H stretch band in the vibrational spectra. Identification of the vibrational bands displayed is supported by deuteration and 15N substitution. [Copyright &y& Elsevier]