Chirality transfer through hydrogen-bonding: experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water.

@article{Losada2007ChiralityTT,
  title={Chirality transfer through hydrogen-bonding: experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water.},
  author={Martin Losada and Yunjie Calvin Xu},
  journal={Physical chemistry chemical physics : PCCP},
  year={2007},
  volume={9 24},
  pages={
          3127-35
        }
}
The infrared vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra of methyl lactate were measured in the 1000-1800 cm(-1) region in the CCl(4) and H(2)O solvents, respectively. In particular, the chirality transfer effect, i.e. the H-O-H bending bands of the achiral water subunits that are hydrogen-bonded to the methyl lactate molecule exhibit substantial VCD strength, was detected experimentally. A series of density functional theory calculations using B3PW91 and B3LYP… CONTINUE READING

Citations

Publications citing this paper.
SHOWING 1-10 OF 10 CITATIONS

References

Publications referenced by this paper.
SHOWING 1-3 OF 3 REFERENCES

( NO TITLE )

  • Wavenumber

unit ML-2w-I ML-2w-II ML-2w-III ML-2w-IV ML-2w-V ML-3w-I ML-3w-II 1000

  • A Arb
  • unit ML-2w-I ML-2w-II ML-2w-III ML-2w-IV ML-2w-V…

unit ML-2w-I ML-2w-II ML-2w-III ML-2w-Iv ML-2w-V ML-3w-I ML-3w-II Figure S2. The predicted VA and VCD spectra of the ML

  • a / Arb
  • unit ML-2w-I ML-2w-II ML-2w-III ML-2w-Iv ML-2w-V…

Similar Papers

Loading similar papers…