Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 4 of 4
Full-Text Articles in Entire DC Network
Secondary N-Nitrosocarbamate Anions: Structure And Alkylation Reactions. A Dft Study, Vladimir Benin
Secondary N-Nitrosocarbamate Anions: Structure And Alkylation Reactions. A Dft Study, Vladimir Benin
Chemistry Faculty Publications
The current article reports theoretical studies (DFT: B3LYP/6-31+G(d)) on the structure and alkylation reactions of the anions of some secondary N-nitrosocarbamates, a class of ambident nucleophiles whose chemistry has been little explored. Several anions (1–4), with an increasing size of the carbamate alkyl (aryl) group were investigated, in an attempt to establish the influence of the size of that group on the thermal stability and regioselectivity of alkylation of the title anions. The conclusion is that thermal stability and the mode of reaction are affected significantly only in the presence of very large and branched carbamate groups. The thermal …
Energy Efficient Process Heating: Insulation And Thermal Mass, Kevin Carpenter, J. Kelly Kissock
Energy Efficient Process Heating: Insulation And Thermal Mass, Kevin Carpenter, J. Kelly Kissock
Mechanical and Aerospace Engineering Faculty Publications
Open tanks and exterior surfaces of process heating equipment lose heat to the surroundings via convection, radiation, and/or evaporation. A practical way of reducing heat loss is by insulating or covering the surfaces. This paper presents methods to quantify heat loss and energy savings from insulating hot surfaces and open tanks. The methods include radiation and evaporation losses, which are ignored by simplified methods. In addition, thermal mass, such as refractory, conveyor and racking equipment, acts as a heat sink and increases heating energy use in process heating applications. This paper presents lumped capacitance and finite-difference methods for estimating heat …
Preparation Of Some Substituted Terephthalic Acids, Susanna Branion, Vladimir Benin
Preparation Of Some Substituted Terephthalic Acids, Susanna Branion, Vladimir Benin
Chemistry Faculty Publications
We report in detail the preparation of two substituted terephthalic acids: 2‐sulfomethylterephthalic acid (1) and 2‐phosphonoterephthalic acid (2). Efficient, short syntheses have been developed for both compounds. They are potentially useful monomers for construction of acid‐pendant polymer chains.
Preparation, Characterization And Dft Studies Of Some New N-Nitrosocarbamates And N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, Vladimir Benin
Preparation, Characterization And Dft Studies Of Some New N-Nitrosocarbamates And N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, Vladimir Benin
Chemistry Faculty Publications
We are presenting the preparation, characterization and density functional theory (DFT) studies {B3LYP/6-31+G(d)) of several reiated classes of N-nitrosocarbamates and N-nitrosoureas. The iong-range goal is the design and preparation of compounds, which would undergo photochemical or hydrolytic decomposition, to yield stabilized cyclic cations that can serve as alkylating agents at various nucleophilic centers, including DNA bases.