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Organic Chemistry Commons

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Full-Text Articles in Organic Chemistry

Predicting Homo And Lumo Energy Gaps For Organic Semi-Conductor: A Theoretical Study, Padtaya Pukpayat Apr 2011

Predicting Homo And Lumo Energy Gaps For Organic Semi-Conductor: A Theoretical Study, Padtaya Pukpayat

Festival of Communities: UG Symposium (Posters)

This poster presents a theoretical approach for characterizing the electronic properties of novel electron-deficient organic semiconductors containing variety of electron donor substituents. In treating these compounds, the following questions will be addressed: What effects to the bandgap will each substituent have? Will any of the substituents lower the band gap to the desired range for solar cell applications(<2.0eV)? Can we use the current, inexpensive and tractable computational methods as a predictive tool for guiding future experimental design of organic based solar cells, rather than depending solely on experimental procedures?


Energy Densification Via Hydrothermal Carbonization, Keri Noack Apr 2011

Energy Densification Via Hydrothermal Carbonization, Keri Noack

Festival of Communities: UG Symposium (Posters)

A process called hydrothermal carbonization (HTC), also known as wet torrefaction involves treatment of raw biomass in hot, pressurized water. HTC of woody biomass has been shown to significantly increase the energy density of the feedstock, producing a biochar, similar to coal, having up to 40% higher calorific energy content. Feedstocks investigated include Tahoe chips, Pinion/Juniper chips, Rice hulls, and Corn Stover pellets pre-treated at 215 °C, 255 °C, and 295 °C. Chemical analyses were conducted on the gaseous, aqueous, and solid HTC products. Energy contents of the solid biochar products were measured by calorimetry, and mass balances were ...


Spectroscopic (Ir, Nmr, Uv-Vis), Theoretical Study And Optical Properties Of 9,10-Dihydrobenzo(A)Pyrene-7(8h)-One And 7, 8, 9, 10-Tetrahydrobenzo(A)Pyrene, Mireya Martinez Apr 2011

Spectroscopic (Ir, Nmr, Uv-Vis), Theoretical Study And Optical Properties Of 9,10-Dihydrobenzo(A)Pyrene-7(8h)-One And 7, 8, 9, 10-Tetrahydrobenzo(A)Pyrene, Mireya Martinez

Undergraduate Research Conference

Polycyclic aromatic hydrocarbons (PAHs) are organic molecules found in the environment. The PAHs are formed from incomplete combustion, are found in diesel exhaust particles, grilled foods, gas burners, emission from wood, and cigarette smoke. These compounds are known to be carcinogenic and mutagenic1,2. Spectroscopic studies were performed on two PAHs, 9,10- dihydrobenzo(a) pyrene-7(8H)-one and 7,8,9,10- tetrahydrobenzo(a)pyrene, which helped to characterize them. Also, a theoretical infrared study was done on 9,10-H2BaP, a scaling factor was found for a simulated infrared spectrum.