Publication | Open Access
The Rotational Zeeman Effect of Thiazole and Isothiazole
22
Citations
3
References
1980
Year
EngineeringHeterocyclicPhysicsNatural SciencesMagnetic ResonanceChemical ReactivityOrganic ChemistryPhysical ChemistryNonlocal ContributionsQuantum ChemistryChemistryMolecular ChemistryHeterocycle ChemistryRotational Zeeman EffectSpectra-structure Correlation
The rotational Zeeman effect of low J rotational transitions (J ≦ 3) has been investigated for Thiazole and Isothiazole. The measured susceptibilities are compared to those calculated within the model of localized (atomic) susceptibilities, and nonlocal contributions to the susceptibility component perpendicular to the ring are obtained. These nonlocal susceptibilities, if compared to those of a set of related compounds appear to correlate to the “aromatic character” as determined by chemical reactivity. Five or six membered rings with Χ ⊥ nonlocal < - 30 · 10 -6 erg/G 2 mol show “aromatic reactions” while molecules with -20 · 10 -6 erg/G 2 < Χ ⊥ nonlocal show “olefinic reactions”.
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