AI Article Synopsis
- A competition between chiral characteristics arises from either molecular conformation or absolute configuration, particularly observed in butanediols.
- Circular dichroism experiments show significant electron chiral asymmetry changes due to different molecular conformations in 1,3- and 2,3-butanediols.
- The study suggests that induced conformational chirality may have a greater impact on chiral molecular recognition than the permanent configurational characteristics of the molecules.
Article Abstract
A competition between chiral characteristics alternatively attributable to either conformation or to absolute configuration is identified. Circular dichroism associated with photoexcitation of the outer orbital of configurational enantiomers of 1,3- and 2,3-butanediols has been examined with a focus on the large changes in electron chiral asymmetry produced by different molecular conformations. Experimental gas-phase measurements offer support for the theoretical modeling of this chiroptical effect. A surprising prediction is that a conformationally produced pseudo-enantiomerism in 1,3-butanediol generates a chiral response in the frontier electron dynamics that outweighs the influence of the permanent configurational handedness established at the asymmetrically substituted carbon. Induced conformation, and specifically induced conformational chirality, may thus be a dominating factor in chiral molecular recognition in such systems.
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| http://dx.doi.org/10.1002/anie.201603771 | DOI Listing |
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