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Showing 1 to 20 of 39 for “"Radical cation"”.
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Part One: Radical Cation and Triplex Diels-Alder Reactions. Part Two: Photochemistry of Tri-1-Naphthylboron
… is shown to be the result of the reaction of the radical cation of 1. A chain mechanism and a fast rate constant for addition of the radical cation of 1 to a neutral molecule of 1 are applied to explain a similar reaction using an aminium salt catalyst. In benzene, the Diels-Alder adducts are …
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Applications Of Electronic Structure Theory To Problems In Unimolecular Dissociation And Inorganic And Biochemical Systems
… carried out to study the dissociation of acetone radical cation, pentane-2,4-dione radical cation, and 1,3-cyclobutanedione radical cation. For acetone radical cation and pentane-2,4-dione radical cation, MP2 with bond additivity corrections generates a better potential energy surface at low cost …
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The preparation of organosulfur derived electron transfer salts
… greater control over the crystalline state of radical cation salts in order to enhance electron transport, and to allow for the incorporation of additional functionality such as optical activity or magnetism. The salts formed are based on the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or …
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A Study of Reactive Intermediates Generated by One-Electron Transfers (Diazoalkane, Cieel, Chemiluminescence, Carbene, Peroxide)
… as decomposition products. In the diazoalkane radical cation, 1('+), formed by chemical or elecro- chemical oxidation of 1, these migrations do not compete with fast bimolecular reactions. Reaction between 1('+) and neutral 1 gives the corresponding ketazine in a catalytic process. The …
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Fundamental Investigations of Mechanistic Pathways of Selected Organic Reactive Intermediates
… gas-phase reaction between the ethylene oxide radical cation and neutral ethylene oxide, when performed in the high-pressure source of a tandem mass spectrometer, forms a C4Hg02 radical cation adduct. The collisionally activated dissociation (CAD) mass spectrum of the C4H802 adduct is nearly …
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The Chemistry of Cyclopropylarene Radical Cations
… are frequently utilized as "probes" for radical cation intermediates in a number of important chemical and biochemical oxidation. The implicit assumption in such studies is that if a radical cation is produced, it will undergo ring opening. Through a detailed examination of follow-up …
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GROWTH MECHANISMS OF COMPLEX ORGANICS IN THE GAS PHASE AND ON METAL NANOPARTICLES GENERATED BY A LASER VAPORIZATION PROCESS
… of acetylene neutrals with different aromatic cations, in order to infer the possible mechanisms of formation of PAHs and PANHs in different environments such as interstellar media under different ionizing conditions. Furthermore, this technique is used to probe structures, address the …
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BINDING ENERGIES AND SOLVATION OF ORGANIC MOLECULAR IONS, REACTIONS OF TRANSITION METAL IONS WITH, AND PLASMA DISCHARGE IONIZATION OF MOLECULAR CLUSTERS
… formation of a covalent bond between the benzene radical cation and the neutral pyrimidine molecule, after it was shown that a stable covalent adduct can be formed between benzene radical cation and the neutral pyridine. Evidence for the formation of a more stable covalent adduct between the …
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Investigation of the Role of Groove Hydration and Charged Nucleosides in DNA Charge Transfer
… charge transfer by their reaction with guanosine radical cation to form 7,8-dihydro-8-oxo-guanine (8-oxoG), which when treated with a base leads to DNA strand cleavage. We probed the reaction of guanosine radical cation with water with series of alkyl substituted cytidines and thymidines by …
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Metabolic Studies on 1-Cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridinyl Derivatives by HPLC and LC-ESI/MS
… for both pathways, namely the cyclopropylaminyl radical cation generated by the SET pathway. This intermediate partitions between the a-carbon oxidation pathway leading to the dihydropyridinium and pyridinium species and the ring opening pathway leading to the N-descyclopropyl metabolite and …
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Control of molecular geometries using new photo-electro-switchable azobenzenes
… it is chemically stable in both neutral and radical cation forms. The basic premise of our work is that the cationic state of the RA-azo will be much more reactive toward azo isomerization (cis-to-trans) than its neutral form. Thus, upon one electron removal from the cis-RA-azo to make …
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Mechanistic Studies on the Monoamine Oxidase B Catalyzed Oxidation of 1,4-Disubstituted Tetrahydropyridine Derivatives
… by α-proton loss from the resulting amine radical cation that leads to a carbon radical. Subsequent transfer of the second electron leads to the reduced flavin and the iminium product. In the case of N-cyclopropylamines, the initially formed amine radical cation is proposed to undergo rapid …
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Astrochemical dynamics: Fundamental studies relevant to titan's atmosphere
… two prototypes of resonantly stabilized free radicals, C8H3 and C4H3, respectively. In ethylamine cation, high-level ab initio calculations identify the complex dissociation pathways for the ground state CH3CH2NH2+ radical cation at 233.3 nm using Direct current (DC) slice imaging technique, …
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Drift Tube Ion Mobility Measurements for Thermochemistry, Kinetics and Polymerization of Cluster Ions
… The ion hydration study is focused on the C3H3+ cation1 and Pyridine▪+ radical cation.2 The chemistry of the cyclic C3H3+ cation1 has received considerable attention and continues to be an active area of research.3-7 The binding energies of the first 5 H2O molecules to c-C3H3+ were determined by …
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Synthetic and mechanistic investigation of new radical processes: reaction of organic azides with group-XIII Lewis acids
… a valid alternative to tributyltin hydride for radical reduction of organic (alkyl, aryl, acyl, solfonyl) azides. The new approach entails mild reaction conditions and provides high yields of the corresponding amines and amides, also showing high degrees of selectivity. The system dichloroindium …
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A Radical Approach to Syntheses and Mechanisms
The critically important nature of radical and radical ion mechanisms in biology and chemistry continues to be recognized as our understanding of these unique transient species grows. The work presented herein demonstrates the versatility of kinetic studies for understanding the elementary chemical …
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O-O bond formation and the transition metal chemistry of [beta]-diketiminate, siloxide, and triamide ligands
… the first structurally characterized NacNac radical cation. In contrast to known redox noninnocent ligand platforms, no significant changes in C-C or C-N bond lengths are observed by X-ray crystallography. DFT calculations and the electronic and structural characterization of the oxidized and …
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Design, Synthesis, and Photophysical Investigation of Porphyrin-containing Polymer-wrapped Single-walled Carbon Nanotubes
… a simultaneous rise and decay of the porphyrin radical cation and SWNT electron polaron spectroscopic signatures indicative of photoinduced electron transfer. A new polymer, S-PBN(b)-Ph2PZn3, was then synthesized which incorporated a meso-ethyne linked zinc porphyrin trimer. By changing the …
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Synthesis of new substituted organosulfur donors for the preparation of conductive and multifunctional materials
… and conductivities have been measured. A radical cation salt of (I) with I2/I3 was found to be a semiconductor at r.t. [Figure 1. Donors containing an alkene functionality on the side chain.]. The preparation of dimeric BEDT-TTFs such as (III) has been investigated using different …
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Pyrrolopyrrole-Based Materials for High-Contrast Electrochromics
… will find utility in organic electronic applications. Dihydropyrrolo[3,2-<em>b</em>]pyrroles (DHPPs) are synthetically simple and highly tailorable chromophores that can be decorated with diverse functionalities that readily manipulate optoelectronic properties useful for a variety of …
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