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Full-Text Articles in Physical Sciences and Mathematics
(E,E)-1,3-Bis[9,10-Dihydro-9-Nitro-10-(TrinitroMethYl)-9-AnthrYl]Propane, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
(E,E)-1,3-Bis[9,10-Dihydro-9-Nitro-10-(TrinitroMethYl)-9-AnthrYl]Propane, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
Chemistry Faculty Publications
The title compound, C33H24N8O16, was obtained as a product of the photoreaction between 1,3-di-9-anthrylpropane and tetranitromethane. The molecule occupies a special position on a twofold axis. The trinitromethyl and nitro substituents on the 9,10-dihydroacridine system are E oriented.
A 2:1 Complex Of 1,3-Bis(9h-Carbazol-9-Yl)Propane And TetraChloro-P-Benzoquinone (P-Chloranil), Mustafa Arslan, Randolph B. Krafcik, John Masnovi, Ronald J. Baker
A 2:1 Complex Of 1,3-Bis(9h-Carbazol-9-Yl)Propane And TetraChloro-P-Benzoquinone (P-Chloranil), Mustafa Arslan, Randolph B. Krafcik, John Masnovi, Ronald J. Baker
Chemistry Faculty Publications
In the title electron donor–acceptor complex, C27H22N2·0.5C6Cl4O2, the p-chloranil molecule lies on a crystallographic inversion center, which is located at the center of the benzene ring. In the crystal structure, one p-chloranil molecule lies above and below the central rings of each donor group of two neighboring 1,3-bis(9H-carbazol-9-yl)propane molecules, with a ring-centroid separation of 3.444 (1) Å. The angle between the planes of the stacking rings of the carbazole and p-chloranil molecules is 3.4 (2)°.
10,10′-Dinitro-10,10′-(Butane-1,4-DiYl)Dianthracen-9(10h)-One, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
10,10′-Dinitro-10,10′-(Butane-1,4-DiYl)Dianthracen-9(10h)-One, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
Chemistry Faculty Publications
The title compound, C32H24N2O6, was obtained as the decomposition product of (E,E)-1,4-bis[9,10-dihydro-9-nitro-10-(trinitromethyl)-9-anthryl]butane, which was synthesized via a photochemical reaction of 1,4-bis(9-anthryl)butane with tetranitromethane. The asymmetric unit contains one half-molecule; the complete molecule is generated by a center of inversion. The crystal packing is determined mainly by intermolecular C—H⋯O interactions.
10,10′-Dinitro-10,10′-(Propane-1,3-DiYl)Di-10h-Anthracen-9-One, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
10,10′-Dinitro-10,10′-(Propane-1,3-DiYl)Di-10h-Anthracen-9-One, Mustafa Arslan, Erol Asker, John Masnovi, Ronald J. Baker
Chemistry Faculty Publications
The title compound, C31H22N2O6, was obtained as the decomposition product of (E,E)-1,3-bis[9,10-dihydro-9-nitro-10-(trinitromethyl)-9-anthryl]propane, which was synthesized via a photochemical reaction of 1,3-di-9-anthrylpropane with tetranitromethane. Intermolecular C—H⋯O interactions are the most prominent features of the crystal packing; no indications of any intermolecular π–π stacking were found.
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 …
Bis(9-EthylCarbazol-3-Yl)Ethane, Erol Asker, John Masnovi
Bis(9-EthylCarbazol-3-Yl)Ethane, Erol Asker, John Masnovi
Chemistry Faculty Publications
In the title compound, C30H28N2, each carbazole skeleton is essentially planar. The planes of the two carbazole ring systems are nearly parallel, with a dihedral angle of 2.33 (19)°. The crystal packing is stabilized only by van der Waals forces and weak C—H⋯π interactions.
9-Ethyl-3-(9h-9-EthylCarbazol-3-Yl)-4-Nitro-9h-Carbazole, Erol Asker, John Masnovi
9-Ethyl-3-(9h-9-EthylCarbazol-3-Yl)-4-Nitro-9h-Carbazole, Erol Asker, John Masnovi
Chemistry Faculty Publications
In the molecule of the title compound, C28H23N3O2, the nitro group is almost perpendicular to the carbazole ring to which it is attached. The crystal packing is determined by C—H⋯O and π–π interactions, where the nitrated carbazole ring of one molecule associates in a shifted parallel planar orientation with the centrosymmetrically related non-nitrated carbazole ring of a neighbouring molecule.
Composition Ot Glvceride Esters Of Lauric Acid Bv Ftir Band Shape Analysis, Deniz P. Wong, Modesto Tan Chua, Erwin P. Enriquez
Composition Ot Glvceride Esters Of Lauric Acid Bv Ftir Band Shape Analysis, Deniz P. Wong, Modesto Tan Chua, Erwin P. Enriquez
Chemistry Faculty Publications
Synthesis of glyceride esters of a fatty acid produces a mixture of isomers that are difficult to separate and analyze, requiring high temperature GC in most cases particularly for long-chain esters. In this paper, we present a fast estimation of the composition of the glyceride esters of lauric acid and glycerol (monolaurin, dilaurin, and trilaurin) by FTIR band shape analysis. The method uses the fact that the carbonyl stretching regions of the pure glycerides have differentband shapes, which implies any composite band of a mixture of glycerides may be resolved into the component peaks due to each glyceride. The carbonyl …
9,9′-Diethyl-3,3′-Di-9h-CarbazolYl, Erol Asker, John Masnovi
9,9′-Diethyl-3,3′-Di-9h-CarbazolYl, Erol Asker, John Masnovi
Chemistry Faculty Publications
In the title compound, C28H24N2, the carbazole ring systems are essentially planar to within 0.076 (3) Å. The dihedral angle between the planes of the ring systems is 40.38 (4)°. The contribution of intermolecular π–π interactions to the molecular stacking is observed.
Bis(9-EthylCarbazol-3-Yl)Methane, Erol Asker, John Masnovi
Bis(9-EthylCarbazol-3-Yl)Methane, Erol Asker, John Masnovi
Chemistry Faculty Publications
In the title compound, C29H26N2, the carbazole ring systems are essentially planar. There is no indication of π–π interactions in the crystal structure, adjacent carbazole groups being non-parallel.
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.
Ecoscale, A Semi-Quantitative Tool To Select An Organic Preparation Based On Economical And Ecological Parameters, Koen Van Aken, Lucjan Strekowski, Luc Patiny
Ecoscale, A Semi-Quantitative Tool To Select An Organic Preparation Based On Economical And Ecological Parameters, Koen Van Aken, Lucjan Strekowski, Luc Patiny
Chemistry Faculty Publications
A novel post-synthesis analysis tool is presented which evaluates quality of the organic preparation based on yield, cost, safety, conditions and ease of workup/purification. The proposed approach is based on assigning a range of penalty points to these parameters. This semi-quantitative analysis can easily be modified by other synthetic chemists who may feel that some parameters should be assigned different relative penalty points. It is a powerful tool to compare several preparations of the same product based on safety, economical and ecological features.