Research Article

Conformational Analysis in Solution of a Chiral Bisoxazoline Molecule: Vibrational Circular Dichroism Spectroscopy and Density Functional Theory Study

Figure 1

HF/STO-3G PES of 1. = H1CC1O1 and = H1CC2O2. All other internal coordinates are fixed at the B3PW91/6-31G* optimized values of structure I. Contour spacing is 0.5 kcal/mole. The values of , for structures I, II, IIIa, IIIb, IVa, and IVb after optimization at the B3PW91/6-31G* level are indicated (x).
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