Porphene: A Regular Heterocyclic Analog of Graphene
Abstract
The proposed effort seeks a combined experimental and computational approach to the synthesis and characterization of novel 2D porphene polymers. If successful, this work will render the first fully periodic and fully conjugated heterocyclic analog of graphene with interesting physical and mechanical properties anticipated. To achieve the stated objective, the PI proposes to use known zinc porphyrin C-C coupling reactions to prepare zinc porphene, a fully conjugated heterocyclic analog of graphene composed of periodically repeated zinc porphyrin rings. Two-dimensionality of the resulting product will be enforced by performing the coupling on an aqueous surface in a Langmuir-Blodgett trough. The progress of the coupling will be followed primarily by UV-Vis and IR spectroscopy. Zinc porphene will be subsequently converted into the free base and metal/metalloid derivatives will be introduced to render metalloporhenes. Porphene structure (both free base and metalloporphene) will be examined with a wide variety of imaging techniques (e .g.; TEM, SEM, STM, AFM, LEED,etc), surface spectroscopy (XPS, EELS, XRF, etc), optical methods (UV-vis, IR, plasmon resonance, Raman spectroscopy, etc), and magnetic measurements (EPR). Additionally, temperature-dependent electrical and thermal conductivity, mechanical properties, and permeability will also be characterized. Significant effort will also be made in gaining detailed structural and properties interprations via quantum theoretical and molecular dynamics calculations using DFT and DFTB methods.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 12, 2017
- Source ID
- W911NF1510435
Entities
People
- Josef Michl
Organizations
- Army Contracting Command
- United States Army
- University of Colorado Boulder