Construction of high-throughput magnetic circular dichroism measurement system and its application to research on magnetic and optical properties of phthalocyanine complexes

CHIRALITY(2024)

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Abstract
Magnetic circular dichroism (MCD) spectroscopy is a powerful method for evaluating the electronic structure and magnetic and optical properties of molecules. In particular, MCD measurements have been performed on phthalocyanines and porphyrins with various central metal ions, axial ligands, and substituents to elucidate their properties. It is essential to develop a robust high-throughput technique to perform these measurements comprehensively and efficiently. However, MCD spectroscopy requires very high optical quality for each component of the instrument, and even slight cell distortions can impair the baseline flatness. Consequently, when versatility and data quality are important, an optical system designed for a microplate reader is not suitable for the MCD spectrometer. Therefore, in this study, we develop a new magnetic flow-through cell and combine it with an existing CD spectrometer and autosampler to construct a high-throughput system. The effectiveness and performance of this new system are then evaluated. In addition, based on the MCD and absorption spectra of various phthalocyanine complexes, the effects of substituents and solvents on their magnetic and optical properties and the causes of these effects are discussed. The results demonstrate that this system is effective for the evaluation of the physicochemical properties of various phthalocyanine complexes. We developed a high-throughput MCD measurement system to automatically measure MCD and absorption spectra of up to 120 samples. The system performance is demonstrated, and the physicochemical properties of phthalocyanine complexes are evaluated. The high level of automation and increased throughput are expected to allow comprehensive and efficient data acquisition. image
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Key words
band deconvolution,high-throughput MCD system,HTMCD,magnetic circular dichroism,MCD spectroscopy,orbital angular momentum,phthalocyanine,solvent effect,substituent effect
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