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Atomic-Molecular Structure Characterization




Scientific Leader: Prof. Delia Chillura Martino
Leader: Prof. Pellegrino Conte

NMR spectroscopy is used in the structural determination of organic and inorganic compounds and is useful for the study of dynamic processes and chemical-structural equilibria. The fields of application range from the characterization of organic molecules to proteomics and materials. There are also notable applications in the field of cultural heritage and food chemistry. Two Bruker FT-NMR spectrometers are present in the laboratory: Avance II 400 and Avance III HD 600 to analyze samples in liquid, solid, semi-solid phase and observe nuclei between 1H and 15N. The NMR spectrometers in the laboratory are also equipped with probes for solid state analysis of rare low resonance frequency nuclei (from 109Ag to 14N).
X-raydiffraction (XRD) is a powerful technique to determine the crystal structure of samples of various kinds. The characteristics of the Bruker D8 Eco diffractometer (source with Co anode, Kα = 1.79 Å, current in the range 5 - 25 mA, d.d.p. in the range 10 - 40 kV, minimum step = 0.019 °, minimum acquisition time per step = 1 sec.) make the acquisition of the measurement a very rapid process and guarantee a high signal/noise ratio. The instrument is also equipped with the Diffrac.EVA software that allows the recognition of the crystalline phases, the calculation of the cell parameters and a semi-quantitative analysis (percentage of the crystallinephases in the sample) in a very intuitive way.
Services: Cryoprobe Prodigy - 1D spectra of 1H, 13C, 15N simple or decoupled; 2D spectra (COSY, HSQC, HMQC, HMBC, TOCSY, NOESY, ROESY, DOSY); 3D spectra (HNCO, HNCA, BEST). Smartprobe - 1D spectra of all the most common, simple or decoupled nuclei, 2D spectra (COZY, HSQC, HMQC, HMBC, TOCSY, NOESY, ROESY, DOSY). Probes for solid state - CP-MAS, simple or NQS spectra, on 13C, 29Si, 31P, 27Al, 7Li, 119Sn; relaxometric analysis (t1H, t1ρH, t1ρC, tcH); 2D spectra (dipolar HETCOR); REDOR spectra; double CP spectra; MQ-MAS spectra.
Fields of application: Materials science, Food chemistry, Structural biology, Biotechnology, Nanotechnology, Pharmaceutical, Cultural and Environmental Heritage.