Determination of absolute configuration using vibrational circular dichroism spectroscopy: The chiral sulfoxide 1‐thiochromanone S‐oxide
- 1 January 2002
- Vol. 14 (5), 400-406
- https://doi.org/10.1002/chir.10103
Abstract
We reexamined the absolute configuration (AC) of the chiral sulfoxide 1‐thiochromanone S‐oxide (1) using vibrational circular dichroism (VCD) spectroscopy. The VCD spectrum of 1 was analyzed using density functional theory (DFT). DFT predicts two stable conformations of 1, separated by S)‐1 is in excellent agreement with the experimental spectrum of (+)‐1. The AC of 1 is therefore definitively R(−)/S(+). Chirality 14:400–406, 2002.Keywords
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