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"The Challenging Conformer Assignment of Proline Methyl Ester from Rotational Spectroscopy" published in PCCP
"The Challenging Conformer Assignment of Proline Methyl Ester from Rotational Spectroscopy" published in PCCP
The rotational spectrum of proline methyl ester was published in Physical Chemistry Chemical Physics (PCCP). Molecular moments of inertia, dipole selection rules, and nuclear quadrupole coupling constants were used to assign the spectrum to a conformation with an intramolecular hydrogen bond from the imino hydrogen to the carbonyl oxygen and with the pyrrolidine ring puckered in an envelope configuration with C-gamma endo (structure 2).
D. Marasinghe, M. J. Carrillo, D. Z. Smallridge, K. E. Butts, B. Bagale, and M. J. Tubergen, Phys. Chem. Chem. Phys. 27, 13167 (2025).
Dr. Dinesh Marasinghe is hooded and receives his degree
Dr. Dinesh Marasinghe is hooded and receives his degree
Dr. Dinesh Marasinghe received his diploma at the Spring 2025 Graduate Commencement Ceremony on May 8, 2025. Ph.D. graduates receive a hood from their advisors on stage before receiving the diploma.
Congratulations Dr. Dinesh Marasinghe
Dinesh Marasinghe successfully defended his Ph.D. dissertation "Rotational Spectra, Conformational Structure, and Methyl Internal Rotation Analysis of Biomolecules" on September 13, 2024. Congratulations Dinesh!
REU students at the Cleveland Clinc Quantum Computing Facility.
Welcome NSF-REU Summer Researchers for 2024
We welcome undergraduate researchers visiting from universities and colleges for Summer, 2024. A grant sponsored by the National Science Foundation – Research Experiences for Undergraduates supports external students for a 10-week research experience in Chemistry and Advanced Materials at Kent State University.
2024 International Symposium on Molecular Spectroscopy
Our group members were part of 6 presentations at the annual ISMS meeting, June 17 – 21. Michael and Emily each made 15-minute oral presentations, with work contributed by Dinesh, Dakota, Kaitlyn, Kathryn, and Lindsey. Two presentations were the results of collaborations with the Gurusinghe Group (a group alumnus now a P.I. at Tennessee Tech University). Congratulations to all!
Valine Methyl Ester published in the Journal of Physical Chemistry A
Our recent project investigating the structure and internal rotation of valine methyl ester conformers was recently published in the Journal of Physical Chemistry A. Rotational spectra were assigned to 2 conformations with different orientations of the isopropyl side chain, and each spectrum was split into A- and E- components arising from internal-rotation-tunneling of the ester methyl group.
D. Marasinghe, R. M. Gurusinghe, and M. J. Tubergen, J. Phys. Chem. A 128, 3266 – 3272 (2024).
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