Polymer Research Group

Spectroscopic characterization of 4,5-diphenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazole obtained from the condensation of benzyl. Experimental and DFT approach.

Castillo A.E., Ceballos P., Cerón M., Pérez-Gutiérrez E., Sosa-Rivadeneyra M., Bernal W., Thamotharan S., Siegler M.A., Percino M.J. Journal of Molecular StructureVolume 124615 December 2021 Article number 131269

Supramolecular Self-Assembly Built by Weak Hydrogen,Chalcogen,and Unorthodox Nonbonded Motifs in 4-(4-Chlorophenyl)-3-[(4-fluorobenzyl)sulfanyl]-5-(thiophen-2-yl)-4 H-1,2,4-triazole, a Selective COX-2 Inhibitor: Insights from X-ray and Theoretical Studies

Al-Wahaibi L.H., Rahul B., Mohamed A.A.B., Abdelbaky M.S.M., Garcia-Granda S., El-Emam A.A., Percino M.J., Thamotharan S. ACS Omega Open Access Volume 6, Issue 10, Pages 6996 - 700716 March 2021

Invariant and Variable Supramolecular Self-Assembly in 6-Substituted Uracil Derivatives: Insights from X-ray Structures and Quantum Chemical Study.

Lamya H. Al-Wahaibi, Sai Ramya Sree Bysani, Samar S. Tawfik, Mohammed S. M. Abdelbaky, Santiago Garcia-Granda, Ali A. El-Emam, M. Judith Percino, and Subbiah Thamotharan. Crystal Growth & Design, DOI: 10.1021/acs.cgd.0c01583

Solution and solid-state photophysical properties of positional isomeric acrylonitrile derivatives, with core pyridine and phenyl. Experimental and DFT studies.

Armando Castillo, Paulina Ceballos, Pilar Santos, Margarita Cerón, Perumal Venkatesan, Enrique Pérez-Gutiérrez, Martha Sosa-Rivadeneyra, S. Thamotharan, Maxime A. Siegler, M. Judith Percino. Molecules, ISSN 1420-3049, Marzo 2021. DOI: 10.3390/molecules26061500

Probing the Effect of Halogen Substituents (Br, Cl, and F) on the Non-covalent Interactions in 1-(Adamantan-1-yl)-3-arylthiourea Derivatives: A Theoretical Study.

Lamya H. Al-Wahaibi, Divya Sri Grandhi, Samar S. Tawfik, Nora H. Al-Shaalan, Mohammed A. Elmorsy, Ali A. El-Emam, M. Judith Percino, and Subbiah Thamotharan. ACS Omega, Publication Date:February 10, 2021. DOI: 10.1021/acsomega.0c05793

Crystal Packing Modulation of the Strength of Resonance-Assisted Hydrogen Bonds and the Role of Resonance-Assisted Pseudoring Stacking in Geminal Amido Esters: Study Based on Crystallography and Theoretical Calculations.

Perumal Venkatesan, Subbiah Thamotharan, M. Judith Percino, and Andivelu Ilangovan. Cryst. Growth Des. 2021, 21, 2, 779–798. DOI: 10.1021/acs.cgd.0c01010

Optoelectronic properties of (Z)-3-(4-(4,5-diphenyl-1H-imidazole-2-yl)phenyl)-2-phenylacrylonitrile films under acid and thermal environments for tuning OLED emission.

Wilson Bernal, Karnambaram Anandhan, Judith Percino, Oracio Barbosa-García, Enrique Pérez-Gutiérrez, Margarita Cerón, Jose-Luis Maldonado, Martha Sosa Rivadeneyra, Subbiah Thamotharan. Dyes and Pigments, Volume 187, March 2021, 109115. DOI: 10.1016/j.dyepig.2020.109115