Spectroscopy, chemometrics and metrology—three aspects of lanthanide chemistry

Abstract

Using spectroscopic data of the Nd(III)–nicotinic acid N-oxide (nic NO) system in methanol as example data, the requirements of the ISO Guide to the Expression of Uncertainty to the evaluation of spectroscopic data are demonstrated. The cause-and-effect diagram approach suggested by EURACHEM is shown and applied to the evaluation of single-component spectra and thermodynamic data of the Nd(III)-nic NO system using computer-intensive statistical methods like the threshold bootstrap in combination with target factor analysis (FA).