Estimation of optical chemical shift in nuclear spin optical rotation

- Analytical theory of nuclear spin optical rotation (NSOR) is further developed.
- Derive formula of NSOR ratio R between different nuclei in a same molecule.
- Calculated results of R agree with the experiments.
- Analyze influence factors on R and chemical distinction by NSOR.

A recently proposed optical chemical shift in nuclear spin optical rotation (NSOR) is studied by theoretical comparison of NSOR magnitude between chemically non-equivalent or different element nuclei in the same molecule. Theoretical expressions of the ratio R between their NSOR magnitudes are derived by using a known semi-empirical formula of NSOR. Taking methanol, tri-ethyl-phosphite and 2-methyl-benzothiazole as examples, the ratios R are calculated and the results approximately agree with the experiments. Based on those, the important influence factors on R and chemical distinction by NSOR are discussed.