Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory

Minameyer M, Xu Y, Frühwald S, Görling A, von Delius M, Drewello T (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Chemistry - A European Journal Wiley

DOI: 10.1002/chem.202001503

Abstract

[n]Cycloparaphenylenes ([n]CPPs) with n=5, 8, 10 and 12 and their noncovalent ring-in-ring and [m]fullerene-in-ring complexes with m=60, 70 and 84 have been studied by direct and matrix-assisted laser desorption ionization ((MA)LDI) and density-functional theory (DFT). LDI is introduced as a straightforward approach for the sensitive analysis of CPPs, free from unwanted decomposition and without the need of a matrix. The ring-in-ring system of [[10]CPP⊃[5]CPP]+. was studied in positive-ion MALDI. Fragmentation and DFT indicate that the positive charge is exclusively located on the inner ring, while in [[10]CPP⊃C60]+. it is located solely on the outer nanohoop. Positive-ion MALDI is introduced as a new sensitive method for analysis of CPP⊃fullerene complexes, enabling the detection of novel complexes [[12]CPP⊃C60, 70 and 84]+. and [[10]CPP⊃C84]+.. Selective binding can be observed when mixing one fullerene with two CPPs or vice versa, reflecting ideal size requirements for efficient complex formation. Geometries, binding and fragmentation energies of CPP⊃fullerene complexes from DFT calculations explain the observed fragmentation behavior.

Authors with CRIS profile

Martin Minameyer Professur für Physikalische Chemie Stefan Frühwald Lehrstuhl für Theoretische Chemie Andreas Görling Lehrstuhl für Theoretische Chemie Thomas Drewello Professur für Physikalische Chemie

Involved external institutions

Universität Ulm DE Germany (DE)

How to cite

APA:

Minameyer, M., Xu, Y., Frühwald, S., Görling, A., von Delius, M., & Drewello, T. (2020). Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory. Chemistry - A European Journal. https://doi.org/10.1002/chem.202001503

MLA:

Minameyer, Martin, et al. "Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory." Chemistry - A European Journal (2020).

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