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Showing 1 to 12 of 281 entries
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Reduction and Accumulation of Gold(III) by .

Environmental science & technology

Gardea-Torresdey JL, Tiemann KJ, Gamez G, Dokken K, Cano-Aguilera I, Furenlid LR, Renner MW.
PMID: 26635419
Environ Sci Technol. 2000 Oct 15;34(20):4392-4396. doi: 10.1021/es991325m. Epub 2000 Sep 09.

We report herein the use of

High energy transmission annular beam X-ray diffraction.

Optics express

Dicken A, Shevchuk A, Rogers K, Godber S, Evans P.
PMID: 25836851
Opt Express. 2015 Mar 09;23(5):6304-12. doi: 10.1364/OE.23.006304.

We demonstrate material phase retrieval by linearly translating extended polycrystalline samples along the symmetry axis of an annular beam of high-energy X-rays. A series of pseudo-monochromatic diffraction images are recorded from the dark region encompassed by the beam. We...

Simulation of femtosecond "double-slit" experiments for a chromophore in a dissipative environment.

The Journal of chemical physics

Gelin MF, Tanimura Y, Domcke W.
PMID: 24320375
J Chem Phys. 2013 Dec 07;139(21):214302. doi: 10.1063/1.4832876.

We performed simulations of the prototypical femtosecond "double-slit" experiment with strong pulsed laser fields for a chromophore in solution. The chromophore is modeled as a system with two electronic levels and a single Franck-Condon active underdamped vibrational mode. All...

Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study.

The journal of physical chemistry. B

Liu X, Karsili TN, Sobolewski AL, Domcke W.
PMID: 26215204
J Phys Chem B. 2015 Aug 20;119(33):10664-72. doi: 10.1021/acs.jpcb.5b04833. Epub 2015 Aug 07.

The hydrogen-bonded acridine-water complex is considered as a model system for the exploration of photochemical reactions which can lead to the splitting of water into H(•) and OH(•) radicals. The vertical excitation energies of the lowest singlet and triplet...

Approaching the gas-phase structures of [AgS8]+ and [AgS16]+ in the solid state.

Chemistry (Weinheim an der Bergstrasse, Germany)

Cameron TS, Decken A, Dionne I, Fang M, Krossing I, Passmore J.
PMID: 12203319
Chemistry. 2002 Aug 02;8(15):3386-401. doi: 10.1002/1521-3765(20020802)8:15<3386::AID-CHEM3386>3.0.CO;2-9.

Upon treating elemental sulfur with [AgSbF(6)], [AgAl(hfip)(4)], [AgAl(pftb)(4)] (hfip=OCH(CF(3))(2), pftb =OC(CF(3))(3)) the compounds [Ag(S(8))(2)][SbF(6)] (1), [AgS(8)][Al(hfip)(4)] (2), and [Ag(S(8))(2)](+)[[Al(pftb)(4)](-) (3) formed in SO(2) (1), CS(2) (2), or CH(2)Cl(2) (3). Compounds 1-3 were characterized by single-crystal X-ray structure determinations: 1...

Dual binding mode of methylmethanetriacetic Acid to tripodal amidopyridine receptors.

The Journal of organic chemistry

Ballester P, Capó M, Costa A, Deyà PM, Gomila R, Decken A, Deslongchamps G.
PMID: 12467396
J Org Chem. 2002 Dec 13;67(25):8832-41. doi: 10.1021/jo025787l.

A series of tripodal amidopyridine receptors capable of selective recognition of methylmethanetriacetic acid (MMTA) in organic solvents is described. Intramolecular hydrogen-bonding groups, built into some of the receptors, were designed as preorganization devices. Binding was studied by NMR titration,...

Preparation and solid-state characterization of mixed-ligand coordination/organometallic oligomers and polymers of copper(I) and silver(I) using diphosphine and mono- and diisocyanide ligands.

Inorganic chemistry

Fournier E, Lebrun F, Drouin M, Decken A, Harvey PD.
PMID: 15132618
Inorg Chem. 2004 May 17;43(10):3127-35. doi: 10.1021/ic034806m.

The dimers [Cu(2)(dppm)(2)(CN-t-Bu)(3)](BF(4))(2) and [Ag(2)(dppm)(2)(CN-t-Bu)(2)](X)(2) (X(-) = BF(4)(-), ClO(4)(-)) and the coordination polymers [[M(diphos)(CN-t-Bu)(2)]BF(4)](n) (M = Cu, Ag; diphos = bis(diphenylphosphino)butane (dppb), bis(diphenylphosphino)pentane (dpppen), bis(diphenylphosphino)hexane (dpph)), [[Ag(2)(dppb)(3)(CN-t-Bu)(2)](BF(4))(2)](n), and [[Ag(dpppen)(CN-t-Bu)]BF(4)](n) have been synthesized and fully characterized as model materials for...

Synthesis and characterization of elusive cyclo-di- and -tri-phosphino-1,3-diphosphonium salts: fundamental frameworks in catena-organophosphorus chemistry.

Chemical communications (Cambridge, England)

Riegel SD, Burford N, Lumsden MD, Decken A.
PMID: 17989827
Chem Commun (Camb). 2007 Nov 28;(44):4668-70. doi: 10.1039/b707741f. Epub 2007 Sep 17.

Reaction of a cyclophosphinophosphonium cation with neat MeOTf represents a general and high-yield synthetic approach to dications enabling the isolation of the first derivatives of 2,4,5-triphosphino-1,3-diphosphonium as bis-triflate salts.

Photochemistry of water: the (H2O)5 cluster.

The Journal of chemical physics

Sobolewski AL, Domcke W.
PMID: 15918717
J Chem Phys. 2005 May 08;122(18):184320. doi: 10.1063/1.1896360.

The structures of the cyclic water pentamer, the H3O+(H2O)3OH- zwitterion, and the H3O(H2O)3OH biradical form of the (H2O)5 cluster have been determined with the second-order Møller-Plesset method and with density-functional theory (DFT). The vertical singlet excitation energies of these...

Time- and frequency-resolved fluorescence spectra of nonadiabatic dissipative systems: what photons can tell us.

The Journal of chemical physics

Egorova D, Gelin MF, Domcke W.
PMID: 15847478
J Chem Phys. 2005 Apr 01;122(13):134504. doi: 10.1063/1.1862618.

The monitoring of the excited-state dynamics by time- and frequency-resolved spontaneous emission spectroscopy has been studied in detail for a model exhibiting an excited-state curve crossing. The model represents characteristic aspects of the photoinduced ultrafast dynamics in large molecules...

Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2- (X=Cl, Br, and I).

Chemphyschem : a European journal of chemical physics and physical chemistry

Mishra S, Vallet V, Domcke W.
PMID: 16514700
Chemphyschem. 2006 Mar 13;7(3):723-7. doi: 10.1002/cphc.200500554.

Recently, photodetachment spectra of AuX2-, X=Cl, Br, and I, have been reported [D. Schröder et al., Angew. Chem. Int. Ed. 2003, 42, 311] followed by a scalar-relativistic theoretical study of the assignment of these spectra [B. Dai, J. Yang,...

Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr-.

The Journal of chemical physics

Mishra S, Vallet V, Poluyanov LV, Domcke W.
PMID: 17092093
J Chem Phys. 2006 Oct 28;125(16):164327. doi: 10.1063/1.2363193.

The vibronic structure of the closely spaced and strongly coupled X 2Sigma+ and A 2Pi states in the photodetachment spectra of CCCl- and CCBr- has been calculated by considering Sigma-Pi vibronic coupling together with spin-orbit coupling. The stretching modes...

Showing 1 to 12 of 281 entries