End-to-End Distance Determination in a Cucurbit[6]uril-Based Rotaxane by PELDOR Spectroscopy

• Published in: Chemphyschem Vol. 13; no. 11; pp. 2659 - 2661
• Main Authors: Pievo, Roberta, Casati, Costanza, Franchi, Paola, Mezzina, Elisabetta, Bennati, Marina, Lucarini, Marco
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 06.08.2012; WILEY‐VCH Verlag; Wiley
• Subjects: Atomic and molecular physics; Bridged-Ring Compounds - chemistry; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); distance determination; electron paramagnetic resonance; Electron resonance and relaxation; Electron Spin Resonance Spectroscopy; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Imidazoles - chemistry; Molecular dynamics and other numerical methods; Molecular Dynamics Simulation; Molecular properties and interactions with photons; Physics; radicals; rotaxane; Rotaxanes - chemical synthesis; Rotaxanes - chemistry; supramolecular chemistry; Water - chemistry; Geometrical structure; radicals; Nitrogen heterocycle; Digital simulation; Supramolecular structure; Molecular dynamics method; distance determination; Electron paramagnetic resonance; supramolecular chemistry; Bond lengths; Organic compounds; Rotaxane
• ISSN: 1439-4235; 1439-7641
• DOI: 10.1002/cphc.201200103

Distance determination: The use of pulsed electron–electron double resonance (PELDOR/DEER) spectroscopy to determine the distances among the end units of a paramagnetic cucurbit[6]uril‐based rotaxane is demonstrated.