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Department of Chemistry

Prasad Polavarapu

Distinguished Professor of Chemistry

Dr. Polavarapu is not currently accepting graduate students. 

My current research focuses in two directions. In one direction, three dimensional molecular structures of chiral molecules, in the solution or vapor phase, are determined using chiroptical spectroscopic methods. This direction also involves developing new instrumental techniques and the use of quantum theoretical techniques. In the second direction, the secondary structures of biological molecules are determined.

The specific areas of interest include:

  1. Vibrational circular dichroism (VCD), which measures the differential absorption of left versus right circularly polarized infrared radiation
  2. Vibrational Raman optical activity (VROA), which measures the corresponding difference in vibrational Raman scattering
  3. Optical rotatory dispersion (ORD), which measures the rotation of plane polarized light as a function of wavelength
  4. Electronic circular dichroism (ECD), which measures the differential absorption of left versus right circularly polarized visible radiation

The first quantum mechanical predictions of VROA [J. Phys. Chem., 94, 8106-8112 (1990)] and of optical rotation [Mol. Phys. 91, 551-554 (1997)] carried out in this laboratory led to remarkable progress in these areas.

The research in my lab uses the experimental measurements in the above mentioned areas, and combines them with either corresponding quantum mechanical predictions or spectra-structure correlations (in the case of biological molecules) to establish the structures of chiral organic molecules and biological molecules in the solution phase.

Specializations

Theoretical Chemistry
Physical Chemistry
Natural Products
Chemical Physics
Biophysical Chemistry
Bioanalytical Chemistry


Representative Publications

“Observation of Rayleigh optical activity for chiral molecules: a new chiroptical tool”, Duncan McArthur, Emmanouil I. Alexakis, Andrew R. Puente, Rebecca McGonigle, Andrew J. Love, Prasad L. Polavarapu, Laurence D. Barron, Lewis E. Mackenzie, Aidan S. Arnold, and Robert P. Cameron, J Phys Chem A 2025 (DOI: 10.1021/acs.jpca.5c05516).

 

“Investigation of the robustness of Rayleigh optical activity for the assignment of absolute configurations of chiral molecules”, Andrew R. Puente, Duncan McArthur, Emmanouil I. Alexakis, Lewis E. McKenzie, Robert P. Cameron, Laurence D. Barron, and Prasad L. Polavarapu” J Phys Chem A 2025 (submitted); 10.26434/chemrxiv-2025-r972r;

 

“How Important are Dimers for Interpreting the Chiroptical Properties of Carboxylic Acids?: A Case Study with [5]-Ladderanoic Acid”, Andrew R. Puente and P. L. Polavarapu, J Phys Chem A 2025, 129, 9871–9882; https://doi.org/10.1021/acs.jpca.5c04282.

 

“Revisiting the Absolute Configuration of Peyssonnoside A Using Vibrational Circular Dichroism Spectroscopy”, Andrew R. Puente, Bhuwan Khatri Chhetri, Julia Kubanek and Prasad L. Polavarapu, Symmetry 2024, 16, 133; https://doi.org/10.3390/sym16020133.

 

“Influence of microsolvation on vibrational circular dichroism spectra in dimethyl sulfoxide solvent: A Bottom-Up approach using Quantum cluster growth”, Andrew R. Puente and Prasad L. Polavarapu, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2023, 303, 123231;  https://doi.org/10.1016/j.saa.2023.123231;

 

“Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra”, Andrew R. Puente, Adrien Bessaguet, Noël Pairault, Grégory Pieters, Jeanne Crassous, Prasad L. Polavarapu, Isabelle Opalinski, Sébastien Papot,  Chirality 2021, 33,773-782; http://dx.doi.org/10.1002/chir.23365

 

“Chemical synthesis of [2H]-ethyl tosylate and exploration of its crypto-optically active character combining complementary spectroscopic tools”, Timothée Naret, Philippe Lesot, Andrew R. Puente, Prasad L. Polavarapu, David-Alexandre Buisson, Jeanne Crassous, Grégory Pieters and Sophie Feuillastre, Org. Lett. 2020, 22, 8846 -8849; https://doi.org/10.1021/acs.orglett.0c03219

 

“Vibrational optical activity for structural elucidation of natural products”, Prasad L. Polavarapu, Ernesto Santoro, Nat. Prod. Rep. 2020, 37, 1661-1699;

         https://doi.org/10.1039/D0NP00025F