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

Figure 3

Mid-IR (800–1800 cm⁻¹) absorption and VCD spectra of 1. —: IR: (825–1005, 1008–1190, 1250–1652, 1663–1800 cm⁻¹), VCD: (806–1000, 1022–1194, 1234–1636 cm⁻¹), 0.50M in CHCl₃; dots line: IR: (800–875, 1131–1300 cm⁻¹), VCD: 1171–1254 cm⁻¹, 0.40M in CDCl₃; dashed line: IR: (976–1061, 1615–1800 cm⁻¹), VCD: (957-1040, 1610–1800 cm⁻¹), 0.20M in CH₂Cl₂. (a) Absorption spectrum, (b) VCD “half-difference” spectrum of (+)-1, (c) VCD “half-sum” spectrum.