Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

Abstract

Synthesis and solid-state NMR characterization of two isomorphous series of zinc and cobalt coordination networks with 1,2,4-triazolyl benzoate ligands are reported. Both series * To whom correspondence should be addressed † Universität Leipzig, Fakultät für Physik und Geowissenschaften, Linnéstr.

Complete post-synthetic modification of a spin crossover complex

“…In this case, we cannot detect 13 C spins in direct vicinity of paramagnetic species, which are certainly severely broadened to be indistinguishable from the baseline. 21 As expected Sample 6 is also silent as it is fully paramagnetic. Mossbauer data were collected for sample 5 at 80 and 325 K and confirmed the residual LS fraction at high temperature suspected by the magnetic measurements (see ESI).…”

Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances

“…Furthermore, both of the 13 C and 15 N NMR peaks of ZIF-67 are substantially broader than those of ZIF-8 primarily due to the shielding effect of the unpaired electrons of Co 2+ . 59 Considering the fact that the effective pore aperture of ZIFs depends on the magnitude of ligand flipping motion, 60 it is not unreasonable to surmise that the more rigid the metal−nitrogen connectivity is, the less the degree of the ligand flipping motion is. This restricted motion might lead to the slightly smaller effective pore aperture of ZIF-67 and consequently improved separation factors.…”

Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and13C solid-state NMR

“…and root-mean-square deviation (RMSD) = 8.95 p.p.m.] is quite large compared to others in the literature (see, for example, Kuttatheyil et al, 2013;Dudenko et al, 2013;Filip et al, 2013) and the agreement could potentially be improved by considering the imine tautomer (II). In this paper, we reconsider the published experimental data (PXRD and 13 C SS-NMR), together with some additional geometry optimizations and solid-state NMR calculations based on dispersion-corrected density functional theory (DFT-D) calculations.…”