Abstract
A computer assignment technique for calculating chemical shifts and spin coupling constants from experimental high-resolution proton magnetic resonance spectra is described. The observed spectral lines are assigned to transitions within the energy-level diagram in a manner consistent with equal-spacing and intensity-sum rules. Experimental eigenvalues are calculated and introduced into equations derived from the spin Hamiltonian secular determinant in analytical form and in the diagonal experimentally observed form. These equations are implicit in the chemical shifts and spin coupling constants and in general must be solved by numerical methods although in some cases explicit solutions are found. The technique is applied to the 60 Mc spectrum of o-dichlorobenzene to obtain the results δ=15.23 cps, J12=8.17 cps, J23=7.44 cps, J13=1.61 cps, and J14=0.36 cps.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
