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Showing 1 to 20 of 120 for “"two-electron"”.
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Two-electron mixed-valence complexes small molecule activation and photocatalytic hydrogen production
Two-electron mixed-valence complexes of rhodium may be supported by diphosphazane ligands (RN(PY2)2). Whereas diphosphazane ligands with strongly [pi]-acidic phosphine groups (Y = F, OCH2CF3) react with RhI starting materials to afford binuclear Rh20,II complexes, Rh20,II(MeN(PY)2)3X2(L) or …
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A gaussian wavefunction for the isoelectronic sequence of two-electron homonuclear diatomic molecules
… to be in error due t o incorrect formulas for two integrals . The interaction potentials calculated in terms of t he corrected wave-f unctions are found to be in reasonable accord with the exact results of Kolos and Wolniewicz. near the equilibrium separation but in relatively poor accord at …
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Kinetics of electron transfer and binding of inhibitors in the two-electron gate of chloroplasts
… B}$ binding site and to characterize the two electron gate in chloroplasts with thermodynamical and kinetic parameters. There are three studies involved: (1) kinetics of an electron transfer reaction between the primary plastoquinone acceptor, Q$\sb{\rm A}$, and Q$\sb{\rm B}$, associated …
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Mechanisms of multielectron redox catalysis with low-valent cobalt: defining the roles of coordination number, stereoelectronics and field effects in selectivity for two-electron chemistry
Embargo set by: Seth Robbins for item 91490 Lift date: 2018-03-08T17:22:13Z Reason: Author requested U of Illinois access only (OA after 2yrs) in Vireo ETD system
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Part One: An Experimental, High-Density Optical Memory. Part Two: Electron Spin Dependent Trapping and Tunneling Processes in Potassium-Chloride and Potassium-Chloride: Sodium-Chloride
Made available in DSpace on 2015-05-12T22:38:50Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 7309893.PDF: 3163685 bytes, checksum: 078f2bac7e8b82fcbf760305c3f4a529 (MD5) Previous issue date: 1972
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Electronic Structure of Three Center Two Electron Bonds in Boron Rich Materials: A Study of Molecules, Crystals, and Amorphous Solids using the ab initio Orthogonalized Linear Combination of Atomic Orbitals Method
… that there is an insufficient number of electrons to populate all the molecular orbitals that would nominally be required for molecular cohesion. To overcome that electron deficiency, the icosahedral boron units tend to form interesting bonding structures with their neighbors in solids, …
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Late transition metal bimetallics for photocatalytic hydrogen production, M-X and C-H bond activation
… study of molecular catalysts that engender multi-electron reactions and photoreactions on small molecule substrates relevant to solar energy conversion. Specifically the molecular design elements employed have focused on bimetallic complexes of late transition metals that exhibit an unusual …
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Use of the Cyclopropylcarbinyl - Allylcarbinyl Rearrangement as a Probe of the Thiophilic Addition Reaction Mechanism
… whether the reaction proceeds in a one or two electron fashion. A number of alpha-cyclopropyl thioketones were examined for their suitability as probes. These investigations were hampered by generally low thiophilic yields and the failure of the substrates examined to undergo ring openings …
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Stabilization of electron-deficient sulfur by neighboring sulfur and oxygen groups.
… controlled potential electrolysis in an overall two electron process. Pulse radiolysis of 1,4,7-trithiacyclononane leads to the formation of a two-center three-electron bond of moderate stability. Naptho [1,8-b,c]-1,5-dithiocin shows neighboring group participation upon electrochemical oxidation. …
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Hypervalent Trigonal Bipyramidal Carbon
Dicationic species, formally two-electron oxidation products of 1,8-bis(arylthio)-9-(2,6-dimethoxyaryl)-10-phenylanthracenes, are proposed to have a bis-sulfonium structure containing a hypervalent trigonal bipyramidal (TBP) carbon atom. Structural features common to these structures which are
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Excited State Dynamics of Trans-Cis Photoisomerization in Photoactive Yellow Protein Chromophores
… which alleviates the O(N4) scaling problem in two-electron integral calculations. For the test cases in this work, PS-TDDFT is up to 10 times faster than the conventional TDDFT with hybrid functionals without sacrificing chemical accuracy.
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Synthesis and Electrochemical Properties of {[(bpy)₂Ru(dpp)]₂RhCl₂}(PF₆)₅: A Light Absorber - Electron Collector - Light Absorber Triad AND Development and Evaluation of Integrated Molecular Modeling, Synthesis, and Characterization Laboratory Experiments for the Undergraduate Chemistry Curriculum
… research detailed herein has been conducted in two different areas. The first research goal was to develop and study a supramolecular system coupling two light absorber units to a central metal site capable of collecting two electrons; this has been accomplished. The complex …
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TCAQ-based polymer for electrochemically mediated separations
… A TCAQ-based polymer, unique for its two-electron redox reaction, was synthesized for use in redox-mediated separation systems, and its performance was quantified in low-concentration aqueous salt solutions. The polyvinyl ferrocene (PVF)//PTCAQ system displayed an ion adsorption …
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Synthesis and small molecule chemistry of the niobaziridine-hydride functional group
… thus establishing la-H as a source of the potent two-electron reductant 2a. Complex la-H was also found to effect the two-electron reduction of a host of other inorganic substrates. However, when treated with certain unsaturated organic molecules, insertion into the Nb-H moiety of complex la-H is …
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Incoherent scattering of microwaves from enhanced density fluctuations in a DC-discharge
… the naturally enhanced density fluctuations in two electron plasma modes for gas pressures between -3 -3"" 3.8xlO Torr and 8.0XlO Torr. The measured electron mode frequencies are in general agreement with other experiments. The enhancement, varying between 30 and 8000 times the estimated thermal …
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Ni and Au Transition Metal Complexes in the Photocatalytic Co2 Reduction Reaction
… are approaches to overcoming this challenge. The two-electron reduction of carbon dioxide to carbon monoxide is an appealing process because CO can be used as a commodity chemical in industrial processes. Many molecular CO2 reduction catalysts have been reported and commonly use expensive late …
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Synthesis of Mixed Transition Metal Clusters of Osmium and Rhenium via Metal Hydride Coupling Reactions
… upon the HRe(CO)(,5) unit initially serving as a two-electron donor to the lightly stabilized clusters Os(,3)(CO)(,12-x)S(,x) (S = CH(,3)CN, C(,8)H(,14); x = 1 or 2). From this point, all that is necessary to achieve the final structures of HReOs(,3)(CO)(,16) and H(,2)Re(,2)Os(,3)(CO)(,20) is for …
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Large amplitude solitary waves in space plasmas
… general results to certain specific examples. In two-electron plasmas we consider electron-acoustic solitary waves in Chapter 3 and ion-acoustic solitons in Chapter 4. Then we consider dusty plasmas, which allow ion-acoustic and dust-acoustic solitary waves. The former are analogous to those …
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Numerische Simulationen zur Einfach- und Doppelionisation von H2 in kurzen intensiven Laserpulsen
… 10^15 W/cm². Using numerical integrations of the two-electron Schrödinger equation of the Hydrogen molecule in appropriate reduced dimensions two mechanisms, namely correlated emission of the electrons and excitation followed by field ionization after rescattering, could be identified and …
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Photoredox activation of carbon dioxide and unactivated aliphatic carbonyl compounds
… carbon-carbon bond formation generally rely on two-electron mechanisms for CO₂ activation and require highly activated reaction partners. Alternatively, radical pathways accessed via photoredox catalysis could provide new reactivity under milder conditions. Here we demonstrate the direct …
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