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Laser Desorption/Ionization Mass Spectrometry as a Potential Tool for Evaluation of Hydroxylation Degree of Various Types of Titanium Dioxide Materials.

ABSTRACT: For many applications, TiO₂ must have a unique surface structure responsible for its desirable physicochemical properties. Therefore the fast and easy methods of TiO₂ surface characterization are of great interest. Heated TiO₂ samples and dye-modified TiO₂ samples were analyzed by laser desorption/ionization mass spectrometry. In the negative ion mode, two types of ions were detected, namely (TiO₂)_n^- and (TiO₂)_nOH^-. It has been established that the samples can be differentiated based on the relative ion abundances, especially with respect to the free hydroxyl group population. It indicates that laser desorption ionization mass spectrometry has the potential for the investigation of the surface properties of various TiO₂ materials.

SUBMITTER: Kasperkowiak M

PROVIDER: S-EPMC8619251 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:RationaleOrganometallic compounds are becoming increasingly important in their industrial application as catalysts. Mass spectrometry is an essential tool for the structural confirmation of such organometallics. Because the analysis of this class of molecules can be challenging, the ionization behavior and structural confirmation of selected transition metal catalysts are described in this work.MethodsThe transition metal catalysts investigated were analyzed using classical vacuum MALDI reflectron TOF-MS as well as intermediate pressure matrix-assisted laser desorption/ionization quadrupole time-of-flight mass spectrometry (MALDI QTOF-MS). Obtained mass spectra were compared with electrospray ionization MS (ESI-MS) already established for organometallic compounds, utilizing a QTOF mass spectrometer here. In addition, various sample preparations, including two selected MALDI matrices (trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile and 2,2':5',2″-terthiophene) with different solvent combinations for MALDI-MS measurements, were investigated in detail with respect to their correct isotope distribution of the molecular ions observed.ResultsAll investigated organometallic compounds were successfully identified by vacuum and intermediate pressure MALDI-MS. Accurate masses of ions related to molecular ion species (e.g., [M-Cl]+ , [M]+ , and [M + Na]+ ) could be determined by MALDI QTOF-MS measurements with a mass error of less than ±5 ppm for all compounds. Both investigated MALDI matrices performed equally on both instruments. The impact of the analyte/matrix solvent mixtures turned out to be crucial for a successful analysis of the investigated compounds. In contrast, ESI QTOF-MS yielded masses of ions related to molecular ion species in favorable cases.ConclusionsThe use of MALDI-MS for the structural confirmation of organometallic compounds is still not widely used. Nevertheless, this work showed that this analytical technique does have some benefits. The analysis of neutral catalysts proves to be quite useful, concluding that this technique provides a complement and/or an alternative to ESI-MS.

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Laser Desorption/Ionization Mass Spectrometry as a Potential Tool for Evaluation of Hydroxylation Degree of Various Types of Titanium Dioxide Materials.

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