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Articles 121 - 127 of 127

Full-Text Articles in Materials Chemistry

Secondary N-Nitrosocarbamate Anions: Structure And Alkylation Reactions. A Dft Study, Vladimir Benin May 2006

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 …

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Development Of A Calix[4]Arene Sensor For Soft Metals Based On Nitrile Functionality, Benjamin Schazmann, Dermot Diamond Jan 2006

Development Of A Calix[4]Arene Sensor For Soft Metals Based On Nitrile Functionality, Benjamin Schazmann, Dermot Diamond

Articles

The current work is amongst the first to examine the potential usefulness of the nitrile functional group in potentiometric analytical sensors for soft metals. Nitrile functionality has hereby been incorporated into a calix[4]arene skeleton to give a series of new cation selective hosts. The analytical sensing behaviour of these hosts was examined by Ion Selective Electrode (ISE) based potentiometry. In all cases a preference for soft metals was observed, explained primarily in terms of soft–soft compatibility between calix[4]arene nitrile hosts and metal guests in combination with a classical ‘lock and key’ best fit mechanism. Hosts 2, 3 and 4 showed …

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Preparation Of Some Substituted Terephthalic Acids, Susanna Branion, Vladimir Benin Jan 2006

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.

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Preparation, Characterization And Dft Studies Of Some New N-Nitrosocarbamates And N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, Vladimir Benin Jan 2006

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.

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Synthesis, Structural Studies And Desilylation Reactions Of Some N-2-(Trimethylsilyl)Ethyl-N-Nitrosocarbamates, Arpitha Thakkalapally, Vladimir Benin May 2005

Synthesis, Structural Studies And Desilylation Reactions Of Some N-2-(Trimethylsilyl)Ethyl-N-Nitrosocarbamates, Arpitha Thakkalapally, Vladimir Benin

Chemistry Faculty Publications

The present report describes the preparation and characterization of several N-2-(trimethylsilyl)ethyl-N-nitrosocarbamates, designed as precursors to thermally unstable secondary N-nitrosocarbamate anions via fluoride-assisted cleavage. X-ray structural studies demonstrate that the core N-nitrosocarbamate moiety has a nearly planar geometry, with an s-E orientation at the N–N bond. DFT calculations (B3LYP/6-31+G(d)) reproduce accurately the structural features of the title compounds and detailed conformational analysis at the same level of theory addresses the long-standing issue of preferred geometries for three classes of related structures: N-nitrosocarbamates, N-nitrosoureas and N-nitrosoamides. Desilylation studies demonstrate that both the …

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Modeling And Design Of Polythiophene Gate Electrode Chemfets For Environmental Pollutant Sensing, T. V. Krishna, Jeffrey R. Jessing, Dale D. Russell, Jonathan Scaggs, Lisa R. Warner, Joe A. Hartman Jan 2003

Modeling And Design Of Polythiophene Gate Electrode Chemfets For Environmental Pollutant Sensing, T. V. Krishna, Jeffrey R. Jessing, Dale D. Russell, Jonathan Scaggs, Lisa R. Warner, Joe A. Hartman

Chemistry and Biochemistry Faculty Publications and Presentations

Water-borne pollutants such as volatile organic compounds are a serious environmental concern, which has increased the demand for chemical sensing elements. Solidstate sensors based on catalytic gate devices are a subject of current research, however they are restricted in practical applications because of their inability to operate at room temperature. Conducting polymer FETs, which employ a conducting gate polymer, have received much attention due to their unique electronic and optical properties. Polythiophene is chosen as the semi-conductive gate polymer in this work. A functional group attached to the polythiophene is used to detect analytes (i.e., mercury in this work) of …

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An Experimental Study Of The Destruction Distillation Of Corn Cobs, Wendall Lee Perry May 1941

An Experimental Study Of The Destruction Distillation Of Corn Cobs, Wendall Lee Perry

Bachelors’ Theses

The utilization of waste products is daily becoming more and more important. It has always been a big problem of industry to utilize its waste material; and as a result, limitless effort has been spent in the attempt to stress utility and economy in all forms of production. Under ordinary circumstances, the utilization of many waste products has been disregarded because of the large expense involved; but in critical times such as the present, expense becomes a secondary issue, and the actual production of necessary material becomes foremost. It is true that the waste connected with large industries is very …

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