Award Abstract # 1652094
CAREER: Elucidating the role of sigma-hole interactions in advanced functional materials

NSF Org: CHE
Division Of Chemistry
Recipient: THE UNIVERSITY OF MISSISSIPPI
Initial Amendment Date: March 29, 2017
Latest Amendment Date: July 31, 2017
Award Number: 1652094
Award Instrument: Continuing Grant
Program Manager: Suk-Wah Tam-Chang
stamchan@nsf.gov
 (703)292-8684
CHE
 Division Of Chemistry
MPS
 Directorate for Mathematical and Physical Sciences
Start Date: April 15, 2017
End Date: November 30, 2022 (Estimated)
Total Intended Award Amount: $499,593.00
Total Awarded Amount to Date: $499,593.00
Funds Obligated to Date: FY 2017 = $499,593.00
History of Investigator:
  • Davita Watkins (Principal Investigator)
    watkins.891@osu.edu
Recipient Sponsored Research Office: University of Mississippi
113 FALKNER
UNIVERSITY
MS  US  38677-9704
(662)915-7482
Sponsor Congressional District: 01
Primary Place of Performance: University of Mississippi
322 Coulter Hall
University
MS  US  38677-1848
Primary Place of Performance
Congressional District:
01
Unique Entity Identifier (UEI): G1THVER8BNL4
Parent UEI:
NSF Program(s): Macromolec/Supramolec/Nano,
EPSCoR Co-Funding
Primary Program Source: 01001718DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1045, 7218, 8396, 8607, 9150
Program Element Code(s): 688500, 915000
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.049

ABSTRACT

Professor Watkins at the University of Mississippi conducts research to gain a deeper understanding of how chemical structures and interactions between molecules affect the light absorbing and electronic properties of organic materials. This fundamental chemistry knowledge is important for the future design of functional materials for technological applications such as electronic and solar devices, which are ubiquitous in our daily lives. Moreover, the project provides research training to the next generation of scientists and engineers. Integrated with the CAREER plan are opportunities to increase the interests of young women and underrepresented minorities (URMs) in science by immersing high school seniors into a summer research program called Operation ICB (I Can Be). The program helps to increase the retention in STEM-related career fields via networking and extended mentorship.

The operational efficiency of organic electronic devices such as organic field effect transistors and organic photovoltaics depends not only on the molecular components but also on the supramolecular structure formed by the pi-conjugated molecules. The research focus of this CAREER project, which is jointly supported by the Macromolecular, Supramolecular and Nanochemistry Program and the EPSCoR Program of NSF, is to establish the foundation for utilizing halogen bonding between novel pi-conjugated molecules to form high-performing optoelectronic materials. This project aims to develop molecular design principles for controlling the self-organization of pi-conjugated molecules in nanoscale arrays and enhancing the light-harvesting and electronic properties of these assemblies. This award increases the interest of young women and underrepresented minorities (URMs) in science by immersing high school seniors into a summer research program. The program also increases the retention of student in STEM-related career fields via networking and extended mentorship.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Balasubramaniam, Sivaraman and Vijayan, Sajith and Goldman, Liam V and May, Xavier A and Dodson, Kyra and Adhikari, Sweta and Rivas, Fatima and Watkins, Davita L and Stoddard, Shana V "Design and synthesis of diazine-based panobinostat analogues for HDAC8 inhibition" Beilstein Journal of Organic Chemistry , v.16 , 2020 https://doi.org/10.3762/bjoc.16.59 Citation Details
Baumann, Alexandra and Cheema, Hammad and Sabuj, Md Abdus and McNamara, Louis E. and Zhang, Yanbing and Peddapuram, Adithya and Nguyen, Suong T. and Watkins, Davita L. and Hammer, Nathan I. and Rai, Neeraj and Delcamp, Jared H. "Iodine binding with thiophene and furan based dyes for DSCs" Physical Chemistry Chemical Physics , v.20 , 2018 10.1039/c8cp03065k Citation Details
Johnson, Sarah N. and Ellington, Thomas L. and Ngo, Duong T. and Nevarez, Jorge L. and Sparks, Nicholas and Rheingold, Arnold L. and Watkins, Davita L. and Tschumper, Gregory S. "Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks" CrystEngComm , 2019 10.1039/c9ce00219g Citation Details
Karunathilaka, Dilan and Rajapakse, R. M. and Hardin, April E. and Sexton, Thomas More and Sparks, Nicholas E. and Mosely, Jacquelyn J. and Rheingold, Arnold L. and Hammer, Nathan I. and Tschumper, Gregory S. and Watkins, Davita L. "Correlation of solid-state order to optoelectronic behavior in heterocyclic oligomers" CrystEngComm , v.24 , 2022 https://doi.org/10.1039/D2CE00560C Citation Details
Rajapakse, R. M. and Attanayake, Nuwan H. and Karunathilaka, Dilan and Steen, April E. and Hammer, Nathan I. and Strongin, Daniel R. and Watkins, Davita L. "Advances in electro-copolymerization of NIR emitting and electronically conducting block copolymers" Journal of Materials Chemistry C , v.7 , 2019 10.1039/C8TC06331A Citation Details
Steen, A. E. "A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptor" Inorganics , 2019 Citation Details
Steen, April E. and Ellington, Thomas L. and Nguyen, Suong T. and Balasubramaniam, Sivaraman and Chandrasiri, Indika and Delcamp, Jared H. and Tschumper, Gregory S. and Hammer, Nathan I. and Watkins, Davita L. "Characterization of Furan- and Thiophene-Containing Bispyridyl Oligomers via Spectroscopic, Electrochemical, and TD-DFT Methods" The Journal of Physical Chemistry C , v.123 , 2019 10.1021/acs.jpcc.9b01510 Citation Details
Stoddard, Shana V. and May, Xavier A. and Rivas, Fatima and Dodson, Kyra and Vijayan, Sajith and Adhika, Swetha and Parker, Kordarius and Watkins, Davita L. "Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8" Molecular Informatics , v.38 , 2018 https://doi.org/10.1002/minf.201800080 Citation Details

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