Experimental nutation NMR line intensity

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Experimental nutation NMR line intensity

Experimental line-intensity panel for the nutation NMR of quadrupole spins

The experimental line intensities in the text-area labeled "Exp. Intensity" are preset in this case to 1/10 of those calculated in the simulation panel. Delete these values and enter yours by importing them from a worksheet such as MS Excel. (Of course, for testing, you can copy the calculated line intensities and paste them into the "Exp. Intensity" text-area.)

Alpha: Parameter used by the Simplex fitting procedure (If the numerical values of the parameters provided by a fit are not satisfactory, choose another value for alpha and start a new fit procedure.)

RF field: Estimated RF field expressed in kHz (This value is determined experimentally with the one-pulse nutation NMR on an aqueous solution where the quadrupole coupling is zero.)

QCC: Estimated quadrupole coupling constant in kHz (for powder)

OmegaQ: Estimated quadrupole coupling in kHz (for single crystal)

Pressing the FIT button changes it to the STOPFIT button and starts the fitting procedure; a new pink (fitting) panel appears.

CAUTION: If the fitting procedure does not start, messages should appear in the lower text-area. This means that:

Solid-state NMR bibliography for:

Aluminum-27
Antimony-121/123
Arsenic-75
Barium-135/137
Beryllium-9
Bismuth-209
Boron-11
Bromine-79/81
Calcium-43
Cesium-133
Chlorine-35/37
Chromium-53
Cobalt-59
Copper-63/65
Deuterium-2
Gallium-69/71
Germanium-73
Gold-197
Hafnium-177/179
Indium-113/115
Iodine-127
Iridium-191/193
Krypton-83
Lanthanum-139
Lithium-7
Magnesium-25
Manganese-55
Mercury-201
Molybdenum-95/97
Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
Potassium-39/41
Rhenium-185/187
Rubidium-85/87
Ruthenium-99/101
Scandium-45
Sodium-23
Strontium-87
Sulfur-33
Tantalum-181
Titanium-47/49
Vanadium-51
Xenon-131
Zinc-67
Zirconium-91
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