Gas‐phase stability of sandwich complexes of crown ethers with metal cations – as studied by collision‐induced dissociation tandem mass spectrometry

Frański, Rafał

doi:10.1002/rcm.8215

Cited by 7 publications

(4 citation statements)

References 32 publications

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“…Regarding sandwich complexes of crown ethers with metal cations, diverse studies have been carried out through ESI-MS/MS in the last ten years. In one of the most recent works, gas-phase stabilities of the sandwich complexes formed by 12-crown-4, 15-crown-5 with different metal cations were compared with the stability of sandwich complexes formed by their analogues benzo-crowns [115], where additional cation-π interactions could exist. ESI-MS indicates the formation of sandwich complexes between 12C4 and B12C4 with all the monovalent and divalent cations studied.…”

Section: Crown Ethersmentioning

confidence: 99%

Recent advances in mass spectrometry studies of non-covalent complexes of macrocycles - A review

Casas-Hinestroza

Bueno

Ibáñez

et al. 2019

Analytica Chimica Acta

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Section: Crown Ethersmentioning

confidence: 99%

Recent advances in mass spectrometry studies of non-covalent complexes of macrocycles - A review

Casas-Hinestroza

Bueno

Ibáñez

et al. 2019

Analytica Chimica Acta

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“…Cooks et al 25 demonstrated that the kinetics of molecular cluster ion dissociation can provide relative yet quantitative thermochemical information about the constituent species under the right circumstances. Moreover, previous studies 26,27 have used collision-induced dissociation (CID) to evaluate the stability of ligand-bound multiprotein complexes and the gas-phase stability of sandwich complexes of crown ethers with metal cations. In this study, we developed a method to quantify the gasphase stability of metal complexes using nanoESI and CID-MS/MS.…”

Section: Introductionmentioning

confidence: 99%

Determination and gas‐phase stability evaluation of metal complexes by nanoelectrospray ionization and collision‐induced dissociation tandem mass spectrometry

Li,

Sawada,

Shioji

2023

Rapid Comm Mass Spectrometry

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RationaleThe structures of metal complexes determine their stable functioning in product performance. Electrospray ionization mass spectrometry (ESI‐MS) is used in studying metal complexes despite exhibiting limitations in analyzing labile complexes. Therefore, identifying a method for detecting unstable complexes and evaluating their stabilities is necessary, providing a theoretical basis for material selection and performance evaluation.MethodsThe standard complexes Zn(BTZ)2, Fe(acac)3, and Sn(Oct)2 were analyzed using nanoESI quadrupole orbitrap MS (nanoESI‐MS) and compared with ESI‐MS for two temperature modes. The three complexes and alkylamine–Ag+ complexes were analyzed using nanoESI and collision‐induced dissociation MS/MS (CID‐MS/MS). Breakdown plots of the survival yield against collision energies expressed in terms of the center‐of‐mass were constructed according to the obtained product ion spectra. Quantum chemical calculations based on density functional theory were performed to calculate the binding energies between the alkylamines and Ag+.ResultsThe three standard complexes were detected in the native structures using nanoESI‐MS, confirming the advantage of nanoESI over ESI for detecting unstable complexes. The gas‐phase stabilities of the amine–Ag+ complexes, estimated using the breakdown plots constructed by plotting the data obtained via nanoESI and CID‐MS/MS, were consistent with the established theories, previous studies, and binding energies calculated using computational methods.ConclusionsNanoESI‐MS is suitable for detecting labile complexes and enables the structural analyses of unknown complex additives. A novel approach based on nanoESI and CID‐MS/MS was developed to determine the gas‐phase stabilities of complexes, enabling their quantification and comparison and providing a technical basis for product improvement, which is essential in developing industrial materials.

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“…Electrospray ionization mass spectrometry (ESI‐MS) is a convenient and useful technique for characterizing transition metal complexes including elemental composition and ligand‐to‐metal ratio as well as metal oxidation state 15–19 . Transition metal complexes in solution often coordinate with the solvents commonly used for ESI‐MS, such as methanol, acetonitrile and water, due to the presence of binding sites in the form of both oxygen and nitrogen donor atoms, resulting in the formation of solvent‐coordinated adduct ions during ESI‐MS 20–23 .…”

Section: Introductionmentioning

confidence: 99%

Investigating the exceptional adducts of alkoxides with Ru(II)–arene cations in alkyl alcohol solution using electrospray ionization mass spectrometry

Cao

Dong

et al. 2021

Rapid Comm Mass Spectrometry

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Rationale Exploring the formation mechanism of the exceptional adducts of alkoxides with Ru(II)–arene cations in alkyl alcohol solution using electrospray ionization mass spectrometry (ESI‐MS) is crucial for further understanding the physicochemical properties of Ru(II)–arene complexes in solution. Methods All mass spectra were collected with an AB SCIEX TripleTOF 5600+ mass spectrometer in positive mode. Theoretical calculations were carried out using the density functional theory method at the B3LYP level with a hybrid basis set consisting of 6‐31G(d,p) and LanL2DZ in the Gaussian 03 program. Results When ruthenated [15]paracyclophanes (Ru‐[15]PCPs) and Ru(II)–arene dimers were dissolved in alkyl alcohol solvents, the adducts of alkoxides with Ru(II)–arene cations were observed under positive ion mode ESI‐MS, which resulted from the coordination of alkyl alcohol molecules with the Ru(II)–arene cations followed by the deprotonation of O‐H bonds of the coordinated alcohols. Furthermore, the number of alkoxides binding to Ru‐[15]PCPs was regulated by the number of ruthenium atoms. Attributed to good solubility and small steric hindrance, the signal intensity of the adducts of methoxides with Ru(II)–arene cations was the strongest among the three alkyl alcohols used in this study. Conclusions The characteristic adducts of alkoxides with Ru(II)–arene cations were pervasively present in positive ion mode ESI‐MS of nine Ru(II)–arene complexes dissolved in alkyl alcohol solvents. Taking into consideration the solubility and signal response, methanol is the most suitable solvent for the ESI‐MS experiments with Ru(II)–arene complexes among the solvents studied, where almost only the diagnostic adducts of methoxides with Ru(II)–arene cations are present.

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Gas‐phase stability of sandwich complexes of crown ethers with metal cations – as studied by collision‐induced dissociation tandem mass spectrometry

Abstract: It is reasonable to assume that the cation-π interaction increases the stability of the sandwich complex of B12C4 with Tl and the stabilities of sandwich complexes of B15C5 with Sr and Pb .

Cited by 7 publications

References 32 publications

Recent advances in mass spectrometry studies of non-covalent complexes of macrocycles - A review

Recent advances in mass spectrometry studies of non-covalent complexes of macrocycles - A review

Determination and gas‐phase stability evaluation of metal complexes by nanoelectrospray ionization and collision‐induced dissociation tandem mass spectrometry

Investigating the exceptional adducts of alkoxides with Ru(II)–arene cations in alkyl alcohol solution using electrospray ionization mass spectrometry

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