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TITLE OF THE PROJECT
SHIELDING PARAMETERS OF NUCLEI: FACILITIES FOR
THE EXPERIMENTAL DETERMINATION AND CALCULATION BYTHEORETICAL PROCEDURES-TO OBTAIN INFORMATION ON CRYSTAL
STRUCTURES AND MOLECULAR ELECTRONIC STRUCTURES
The experimental part of the project is the construction of a Magic
Angle Sample Spinning accessory to the AC 300 High Resoltion (solution) Spectrometer. It wpould be possible to obtain solution-like
spectra from the POWDER specimens by spinning the sample about an axis at Magic Angle to the applied field direction. Illustration
below:
| Providing a MASS accessory to AC 300 for powders |
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| A typical MASS 13c Spectra- STATIC & SPINNING |
The Magic Angle Sample Spinning (MASS) accessory can be made
available in the HR liquid state spectrometers simply by providing a suitable probe without having to change the Transmitter-receiver
part of the spectrometer to the High Power solid state NMR spectrometer models. This enables obtaining MASS spectra for a
variety of the nuclei as is available in a Multi-nuclear liquid state HR NMR(AC 300) spectrometers. To obtain better sensitivity
for the less abundant nuclei,the MASS spectra are obtained usually with additional sensitivity enhancement by the solid-state
'cross-polarisation' (CP) techniques and such experiments are known as CPMASS experiments. But, adding this feature
for CP techniques would require escalating the spectrometer specifications to that of SOLID-STATE NMR models which is not
as simple as providing a simple probe assembly only.
The Calculation aspects of the Shielding parameters with
emphasis on the efforts made by the Principal Investigator (PI) till now are compiled in the webpages of a Website:
for accessing the website describing the outline of the research profile of Dr.S.Aravamudhan,Principal Investigator in the Project,bring
the cursor on to the 'click here' line below this text and click.
A website which is intended to be more brodbased , frequently
updated with the current trends and on-going activities would be at the URL: https://saravamudhan.tripod.com/
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