naa a22 4500 51077458X CHVBK 20180411083226.0 cr unu---uuuuu 180411e20130901xx s 000 0 eng 10.1007/s12210-013-0242-4 doi (NATIONALLICENCE)springer-10.1007/s12210-013-0242-4 Chiral discrimination via nuclear magnetic resonance spectroscopy [Elektronische Daten] [Stefano Pelloni, Francesco Faglioni, Paolo Lazzeretti] Calculations of nuclear magnetic shielding polarisabilities of cyclic C4H2X2 molecules, for X = O, S, Se and Te, have been carried out. Pseudoscalars of the nuclear magnetic shielding polarisability computed for the heavier nuclei are at least two orders of magnitude larger than those reported so far. Calculations of the rf voltage produced by the rotating chiral electric polarisation, induced by the permanent magnetic dipole moment of 77Se nucleus in 1,2-diselenin and 125Te nucleus in 1,2-ditellurin, are predicted to be ≈40 nV and ≈80 nV, respectively, detectable in principle with a proper experimental set-up. Also the chiral chemical shifts are evaluated and they are found near the experimental detection limit. Accademia Nazionale dei Lincei, 2013 Chiral discrimination nationallicence NMR spectroscopy nationallicence Magnetic shielding polarisability nationallicence Pelloni Stefano Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut Faglioni Francesco Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut Lazzeretti Paolo Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut Rendiconti Lincei Springer Milan 24/3(2013-09-01), 283-289 2037-4631 24:3<283 2013 24 12210 https://doi.org/10.1007/s12210-013-0242-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12210-013-0242-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pelloni Stefano Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut NATIONALLICENCE 700 1- Faglioni Francesco Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut NATIONALLICENCE 700 1- Lazzeretti Paolo Dipartimento di Chimica dell'Università degli Studi di Modena, via Campi 183, 41100, Modena, Italy aut NATIONALLICENCE 773 0- Rendiconti Lincei Springer Milan 24/3(2013-09-01), 283-289 2037-4631 24:3<283 2013 24 12210 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer