Anwesha Datta

3 Questions 2 Answers 0 Followers

Questions related from Anwesha Datta

How to check dipole-dipole interaction strength between two molecules when H bonding may not be the stabilising factor in a dimer molecule?

I have optimised the geometry of the dimer of a molecule using pcm solvent model and B3LYP functional with 6311++G(d,p) basis set in Gaussian 09 software. There is possibility of C-H...O H bonding...

02 April 2024 1,769 1 View

Is it possible for a chiral molecule to show all negative bands or all positive bands in its experimental VCD spectrum in the fingerprint region?

I have recorded the VCD (vibrational circular dichroism) spectra of two enantiomers of a chiral molecule. One enantiomer showed all negative bands within the fingerprint region while the other...

09 February 2023 4,865 3 View

I am working in VCD spectroscopy in liquid phase but there is inconsistency in sign for only one VCD band. What could be the possible reason for this?

I am working in VCD spectroscopy in liquid phase but there is inconsistency in sign for only one particular VCD band. All other bands are consistent in sign. What could be the possible reason for...

16 September 2021 1,513 2 View