Absolute configuration of an axially chiral sulfonate determined from its optical rotatory dispersion, electronic circular dichroism, and vibrational circular dichroism spectra

作者：Covington Cody L; Raghavan Vijay; Smuts Jonathan P; Armstrong Daniel W; Polavarapu Prasad L^*

来源：Chirality, 2017, 29(11): 670-676.

DOI：10.1002/chir.22739

• chiral separation
• chiroptical spectra
• dissymmetry factor
• FRULIC-n
• quantum chemical prediction
• similarity overlap

The absolute configuration (AC) of an axially chiral sulfonate (aCSO), 3,5-dimethyl-2-(naphthalen-1-yl)-6-(naphthalen-1-yl)benzenesulfonate (labeled as aCSO5), was investigated using optical rotatory dispersion (ORD), electronic circular dichroism (ECD), and vibrational circular dichroism (VCD) spectroscopies. All three methods led to the same conclusion and the AC of aCSO5 is reliably determined to be (-)-(aR, aR), or conversely (+)-(aS, aS).

• 出版日期2017-11