Quadrupolar Nuclei Contents: [Quadrupolar Nuclei --- Essential Parameters] [References]

Quadrupolar Nuclei --- Essential Parameters

To use this form, first select the desired isotope. All derived parameters will be updated immediately. You can also modify all other parameters in the column "required parameters"; hitting the Enter key will update all desired parameters. See also my page on conventions.

A very nice and useful site on quadrupolar nuclei has been prepared by Pascal Man: Quadrupole Coupling in NMR.

Category	Required Parameters		Derived Parameters
Define Quadrupolar Nucleus:	Select Isotope:	H-2 Li-6 Li-7 Be-9 B-10 B-11 N-14 O-17 Ne-21 Na-23 Mg-25 Al-27 S-33 Cl-35 Cl-37 Ar-39 K-39 K-40 K-41 Ca-41 Ca-43 Sc-45 Ti-47 Ti-49 V-50 V-51 Cr-53 Mn-55 Co-59 Ni-61 Cu-63 Cu-65 Zn-67 Ga-69 Ga-71 Ge-73 As-75 Br-79 Br-81 Kr-83 Rb-85 Rb-87 Sr-87 Zr-91 Nb-93 Mo-95 Mo-97 Tc-99 Ru-99 Ru-101 Pd-105 In-113 In-115 Sb-121 Sb-123 I-127 Xe-131 Cs-133 Ba-135 Ba-137 La-138 La-139 Ce-139 Pr-141 Nd-143 Nd-145 Pm-147 Sm-147 Sm-149 Eu-151 Eu-153 Gd-155 Gd-157 Tb-159 Dy-161 Dy-163 Ho-165 Er-167 Yb-173 Lu-175 Lu-176 Hf-177 Hf-179 Ta-181 Re-185 Re-187 Os-189 Ir-191 Ir-193 Au-197 Hg-201 Bi-209 Ac-227 Th-229 Pa-231 U-233 U-235	Nuclear Spin:
	Enter B0 (in Tesla) 400 MHz = 9.4 T		Larmor frequency: (MHz)
			pulse width for selective central transition excitation: (in fractions of solution 90-deg pulse)
Define Quadrupolar Interaction:	quadrupolar coupling constant: (MHz)		quadrupolar frequency (MHz)
	asymmetry parameter		Cohen/Reif parameter [5]
			quadrupolar perturbation
			MAS full maximum line width (Hz) of central transition
			MAS second-order shift (ppm) of central transition

References

1. J. P. Amoureux, C. Fernandez, P. Granger, In Multinuclear Magnetic Resonance in Liquids and Solids - Chemical Applications; P. Granger, R. K. Harris, Eds.; Kluwer Academic Publishers, Dordrecht 1991; pp. 409-424.
2. F. Taulelle, In Multinuclear Magnetic Resonance in Liquids and Solids - Chemical Applications; P. Granger, R. K. Harris, Eds.; Kluwer Academic Publishers, Dordrecht 1991; pp. 393-407.
3. D. Freude, J. Haase, J. Klinowski, T. A. Carpenter, G. Rokinier, Chem. Phys. Lett. 1985, 119, 365.
4. E. Fukushima, S. B. W. Roeder, Experimental Pulse NMR - A Nuts and Bolts Approach; Addison-Wesley Publishing, Reading, MA, 1981.
5. Cohen, Reif, In Solid State Physics; Seitz, Turnbull, eds.; Academic Press, New York, volume 5, 1957, pp. 321-438