title: 113Cd solid-state NMR for probing the coordination sphere in metal-organic frameworks.
abstract: Spectroscopic techniques are a powerful tool for structure determination, especially if single-crystal material is unavailable. (113)Cd solid-state NMR is easy to measure and is a highly sensitive probe because the coordination number, the nature of coordinating groups, and the geometry around the metal ion is reflected by the isotropic chemical shift and the chemical-shift anisotropy. Here, a detailed investigation of a series of 27 cadmium coordination polymers by (113)Cd solid-state NMR is reported. The results obtained demonstrate that (113)Cd NMR is a very sensitive tool to characterize the cadmium environment, also in non-single-crystal materials. Furthermore, this method allows the observation of guest-induced phase transitions supporting understanding of the structural flexibility of coordination frameworks.
authors.affiliation: Universität Leipzig, Fakultät für Physik und Geowissenschaften, Linnéstrasse 5, 04103 Leipzig (Germany).
authors.forename: Anusree Viswanath
authors.initials: AV
authors.lastname: Kuttatheyil
authors.forename: Marcel
authors.initials: M
authors.lastname: Handke
authors.forename: Jens
authors.initials: J
authors.lastname: Bergmann
authors.forename: Daniel
authors.initials: D
authors.lastname: Lässig
authors.forename: Jörg
authors.initials: J
authors.lastname: Lincke
authors.forename: Jürgen
authors.initials: J
authors.lastname: Haase
authors.forename: Marko
authors.initials: M
authors.lastname: Bertmer
authors.forename: Harald
authors.initials: H
authors.lastname: Krautscheid
keywords: 113Cd solid-state NMR; coordination polymers; crystal structures; metal-organic frameworks; microporous materials