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Frontispiece: 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
Author(s) -
Minameyer Martin B.,
Xu Youzhi,
Frühwald Stefan,
Görling Andreas,
Delius Max,
Drewello Thomas
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202084063
Subject(s) - ionization , fragmentation (computing) , fullerene , density functional theory , desorption , ring (chemistry) , chemistry , chemical physics , non covalent interactions , computational chemistry , molecular physics , atomic physics , molecule , physics , ion , organic chemistry , hydrogen bond , adsorption , computer science , operating system
Direct laser desorption ionization (LDI) is introduced as a straightforward approach for the sensitive analysis of [ n ]cycloparaphenylenes ([ n ]CPPs) and matrix‐assisted LDI (MALDI) as a new sensitive method for analysis of host–guest complexes of CPPs with fullerenes. Novel complexes are detected and selective binding can be observed, reflecting ideal size requirements for efficient complex formation. Fragmentation experiments reveal the charge localization in ionized complexes. Geometries, binding energies and fragmentation energies are derived from DFT calculations. For more information, see the Full Paper by T. Drewello and co‐workers on page 8729 ff.