Optical Rotation of Noncovalent Aggregates  [J. Am. Chem. Soc. 2003, 125, 15696−15697].

Abstract

Page 15696 and page S-9 of Supporting Information. A sentence in the fifth paragraph on page 15696 should read, "The [R I ] and [R II ] values were calculated using frequency-invariant atomic orbitals (FIAOs) with Dunning's correlation-consistent valence double-(aug-cc-pVDZ) basis set in the time-dependent density functional theory (TD-DFT) response formalism implemented in Turbomole. 9 " The Supporting Information page S-9 contains the same error.

Specific rotation of monosaccharides: a global property bringing local information

“…Even though it is possible to measure the specific rotation (SR or [a] 589 ) of chiral systems in the gas-phase, the large amount of experimental data available in the literature for enantiomorphic molecules refers to SR measurements in solution at certain values of concentration and temperature. Given this situation, as noted by Mukhopadhyay and coworkers, 1 effects such as chiral solvent imprinting, 2,3 perturbation of the solute electronic structure by solvation including association of solvent molecules, 4 solute clustering or assembly, 5 and shifts in the solute conformational distribution may strongly influence the absolute values of the experimentally determined SR. To overcome at least the two latter effects, Polavarapu and coworkers 6 have suggested the comparison of the theoretically calculated SR value with the experimentally determined intrinsic rotation value, 7 the latter being defined as the SR value of a chiral solute under infinitely dilute conditions.…”