Hi everyone,
I hope you all are having a wonderful day! I am writing to request some guidance
on utilizing the Top Spin DNMR module. I will try to keep it generalized but
happy to provide more information as appropriate.
Essentially, one of my advanced NMR users is attempting to utilize DNMR to
fit a more complex system. They are working on guest/host complex chemistry
and as such have some issues with peak overlap. When attempting to fit the
nuclei/spin system they are interested in, they report all appropriate J
coupling constants but attempt to “trick” the program by setting the
corresponding coupled nuclei peaks to somewhere well out of set range and
the spectrum as a whole. Essentially, somewhere where there is no associated
peak. This is done because the peak corresponding to the nuclei it is coupled
to is not baseline resolved from other peaks in the spectrum.
My question is, will this “trick” have a negative consequence to the
fitting? Does it do anything in terms of changing the fit based on the presence
or absence of this other peak?
I hope that makes sense. I can also provide screen shots if that is more helpful.
Thanks!
Jessica
Dr. Jessica M. Roberts, Ph.D.
Assistant Professor of Instruction
NMR Facility Manager
Department of Chemistry and Biochemistry
Ohio University
245 Chemistry
Athens, OH 45701
740.593.0038
jroberts_at_ohio.edu<mailto:jroberts_at_ohio.edu>
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Received on Tue Oct 10 2023 - 11:06:18 MST