Chlorine-35 and chlorine-37 NMR

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Isotope Spin Natural
abundance (%)
Quadrupole moment
NMR frequency (MHz)
at a field of 2.3488T
Cl-35 3/2 75.53 -8.165 4.70E-3 3.55E-3 -9.798 NaCl
Cl-37 3/2 24.47 -6.435 2.71E-3 6.63E-4 -8.156

Solid-state chlorine NMR references

  1. Andrii Mahun, Sabina Abbrent, Jiri Czernek, Jan Rohlicek, Hana Macková, Weihua Ning, Rafał Konefał, Jiří Brus, and Libor Kobera
    Reconstructing reliable powder patterns from spikelets (Q)CPMG NMR spectra: Simplification of UWNMR crystallography analysis,
    Molecules 26, 6051/1-6051/13 (2021).
    Open access
  2. Dinu Iuga, Emily K. Corlett, and Steven P. Brown
    35Cl–1H Heteronuclear correlation magic-angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts,
    Magn. Reson. Chem. 59, 1089-1100 (2021).
    Open access
  3. Amrit Venkatesh, Xuechen Luan, Frédéric A. Perras, Ivan Hung, Wenyu Huang, and Aaron J. Rossini
    t1-Noise eliminated dipolar heteronuclear multiple-quantum coherence solid-state NMR spectroscopy,
    Phys. Chem. Chem. Phys. 22, 20815-20828 (2020).
    Open access
  4. David A. Hirsh, Yongchao Su, Haichen Nie, Wei Xu, Dirk Stueber, Narayan Variankaval, and Robert W. Schurko
    Quantifying disproportionation in pharmaceutical formulations with 35Cl solid-state NMR,
    Mol. Pharmaceutics 15, 4038-4048 (2018).
  5. Frédéric A. Perras and David L. Bryce
    Direct characterization of metal-metal bonds between nuclei with strong quadrupolar interactions via NMR spectroscopy,
    J. Phys. Chem. Lett. 5, 4049-40547 (2014).
    Open Access
  6. F. A. Perras and D. L. Bryce
    Direct investigation of covalently bound chlorine in organic compounds by solid-state 35Cl NMR spectroscopy and exact spectral line-shape simulations,
    Angew. Chem. Int. Ed. 51, 4227-4230 (2012).
  7. Rebecca P. Chapman, Jennifer R. Hiscock, Philip A. Gale, and David L. Bryce
    A solid-state 35/37Cl NMR study of a chloride ion receptor and a GIPAW-DFT study of chlorine NMR interaction tensors in organic hydrochlorides,
    Can. J. Chem. 89, 822-834 (2011).
  8. L. Ramu, K. P. Ramesh, D. Ramananda, and R. Chandramani
    Temperature and pressure dependence of 35Cl NQR and spin lattice relaxation time in 2,3-dichloroanisole,
    Magn. Reson. Chem. 48, 593-599 (2010).
  9. Ivan Hung and Zhehong Gan
    On the practical aspects of recording wideline QCPMG NMR spectra,
    J. Magn. Reson. 204, 256-265 (2010).
  10. Luke A. O’Dell, Aaron J. Rossini, and Robert W. Schurko
    Acquisition of ultra-wideline NMR spectra from quadrupolar nuclei by frequency stepped WURST–QCPMG,
    Chem. Phys. Lett. 468, 330-335 (2009).
  11. Ivan Hung, Kiran Shetty, Paul D. Ellis, William W. Brey, and Zhehong Gan
    High-field QCPMG NMR of large quadrupolar patterns using resistive magnets,
    Solid State Nucl. Magn. Reson. 36, 159-163 (2009).
  12. C. M. Widdifield, R. P. Chapman, and D. L. Bryce
    Chlorine, bromine, and iodine solid-state NMR spectroscopy,
    Annu. Rep. Nucl. Magn. Reson. Spectrosc. 66, 195-326 (2009).
  13. R. P. Chapman, C. M. Widdifield, and D. L. Bryce
    Solid-state NMR of quadrupolar halogen nuclei,
    Prog. Nucl. Magn. Reson. Spectrosc. 55, 215-237 (2009).
  14. R. P. Chapman and D. L. Bryce
    Application of multinuclear magnetic resonance and gauge-including projector-augmented wave calculations to the study of solid group 13 chlorides,
    Phys. Chem. Chem. Phys. 11, 6987-6998 (2009).
  15. A. J. Rossini, R. W. Mills, G. A. Briscoe, E. L. Norton, S. J. Geier, I. Hung, S. Zheng, J. Autschbach, and R. W. Schurko
    Solid-state chlorine NMR of group IV transition metal organometallic complexes,
    J. Am. Chem. Soc. 131, 3317-3330 (2009).
  16. H. Hamaed, J. M. Pawlowski, B. F. T. Cooper, R. Fu, S. H. Eichhorn, and R. W. Schurko
    Application of solid-state 35Cl NMR to the structural characterization of hydrochloride pharmaceuticals and their polymorphs,
    J. Am. Chem. Soc. 130, 11056-11065 (2008).
  17. R. Bhattacharyya and L. Frydman
    Quadrupolar nuclear magnetic resonance spectroscopy in solids using frequency-swept echoing pulses,
    J. Chem. Phys. 127, 194503/1-194503/8 (2007).
  18. R. P. Chapman and D. L. Bryce
    A high-field solid-state 35/37Cl NMR and quantum chemical investigation of the chlorine quadrupolar and chemical shift tensors in amino acid hydrochlorides,
    Phys. Chem. Chem. Phys. 9, 6219-6230 (2007).
  19. David L. Bryce and Elijah B. Bultz
    Alkaline earth chloride hydrates: Chlorine quadrupolar and chemical shift tensors by solid-state NMR spectroscopy and plane wave pseudopotential calculations,
    Chem. Eur. J. 13, 4786-4796 (2007).
  20. D. L. Bryce and G. D. Sward
    Chlorine-35/37 NMR spectroscopy of solid amino acid hydrochlorides: Refinement of hydrogen-bonded proton positions using experiment and theory,
    J. Phys. Chem. B 110, 26461-26470 (2006).
  21. D. L. Bryce, G. D. Sward, and S. Adiga
    Solid-state 35/37Cl NMR spectroscopy of hydrochloride salts of amino acids implicated in chloride ion transport channel selectivity: Opportunities at 900 MHz,
    J. Am. Chem. Soc. 128, 2121-2134 (2006).
  22. D. L. Bryce and G. D. Sward
    Solid-state NMR spectroscopy of the quadrupolar halogens: chlorine-35/37, bromine-79/81, and iodine-127,
    Magn. Reson. Chem. 44, 409-450 (2006).
  23. F. Barberon, V. Baroghel-Bouny, H. Zanni, B. Bresson, J.-B. d'Espinose de la Caillerie, L. Malosse, and Z. Gan
    Interactions between chloride and cement-paste materials,
    Magn. Reson. Imaging 23, 267-272 (2005).
  24. H. Trill, H. Eckert, and V. I. Srdanov
    NMR study of interacting F centers in Na8[Al6Si6O24]Cl2 sodalite,
    Phys. Rev. B 71, 014412/1-014412/6 (2005).
  25. T. O. Sandland, L. S. Du, J. F. Stebbins, and J. D. Webster
    Structure of Cl-containing silicate and aluminosilicate glasses: A 35Cl MAS-NMR study,
    Geochim. Cosmochim. Acta 68, 5059-5069 (2004).
  26. A. Taye and D. Michel
    Phason and amplitudon dynamics in the incommensurate phase of bis(4-chlorophenyl)sulphone,
    Phys. Rev. B 69, 224206/1-224206/7 (2004).
  27. H. Honda
    Even-odd effect of 35Cl quadrupole coupling constants in solid n-alkylammonium chlorides (C5 - C10),
    Z. Naturforsch. 58a, 623-630 (2003).
  28. N. Sinyavsky, I. Korneva, and M. Mackowiak
    Determination of rotational angles from two-dimensional exchange NMR and NQR spectra of powder samples,
    J. Mol. Struct. 659, 43-51 (2003).
  29. T. Azaïs, C. Bonhomme, and M. E. Smith
    35Cl quadrupolar constants obtained by solid-state NMR: study of chlorinated Al-O-P clusters, involving OH…Cl hydrogen bonds,
    Solid State Nucl. Magn. Reson. 23, 14-27 (2003).
  30. A. Taye and D. Michel
    35Cl nuclear magnetic resonance study in bis(4-chlorophenyl)sulphone [(ClC6H4)2SO2],
    phys. stat. sol. (b) 233, 519-529 (2002).
  31. D. L. Bryce, M. Gee, and R. E. Wasylishen
    High-field chlorine NMR spectroscopy of solid organic hydrochloride salts: a sensitive probe of hydrogen bonding environment,
    J. Phys. Chem. A 105, 10413-10421 (2001).
  32. J. Skibsted and H. J. Jakobsen
    35Cl and 37Cl magic-angle spinning NMR spectroscopy in the characterization of inorganic perchlorates,
    Inorg. Chem. 38, 1806-1813 (1999).
  33. J. P. Yesinowski, M. L. Buess, A. N. Garroway, M. Ziegeweid, and A. Pines
    Detection of 14N and 35Cl in cocaine base and hydrochloride using NQR, NMR, and SQUID techniques,
    Anal. Chem. 67, 2256-2263 (1995).
  34. T. L. Weeding and W. S. Veeman
    Characterisation of the structure of inorganic chloride salts with chlorine solid state NMR,
    J. Chem. Soc., Chem. Commun. 947-948 (1989).
  35. Th. Erge, D. Michel, J. Petersson, and W. Windsch
    35Cl NMR study in the paraelectric phase of tris-sarcosine calcium chloride,
    Phys. Stat. Sol. a 114, 705-712 (1989).

Related bibliography

  1. J. Teles, C. Rivera-Ascona, R. S. Polli, R. Oliveira-Silva, E. L. G. Vidoto, J. P. Andreeta, and T. J. Bonagamba
    Experimental implementation of quantum information processing by Zeeman-perturbed nuclear quadrupole resonance,
    Quantum Inf. Process. 14, 1889-1906 (2015).
  2. H. Kampermann, A. D. Bain, and R. S. Dumont
    Residual dipolar coupling in the CP/MAS nuclear magnetic resonance spectra of spin-1/2 nuclei coupled to quadrupolar nuclei application of floquet theory,
    J. Chem. Phys. 116, 2464-2471 (2002).
  3. B. Thomas, S. Paasch, S. Steuernagel, and K. Eichele
    Residual 31P, 35,37Cl dipolar coupling in 31P MAS spectra of chlorocyclophosphazenes,
    Solid State Nucl. Magn. Reson. 20, 108-117 (2001).
  4. B. Nagasaka, S. Takeda, and N. Nakamura
    Residual dipolar splittings in 13C CP/MAS NMR spectra due to quadrupolar halogen nuclei in uracil halides,
    Chem. Phys. Lett. 222, 486-492 (1994).

More solid-state Cl-35/37 NMR references.

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