ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
01 Oct 1997-Journal of Applied Crystallography (International Union of Crystallography)-Vol. 30, Iss: 5, pp 565-565
TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
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TL;DR: In this paper, the synthesis, characterization and exceptional activity of Cu I (TPMA)Br [TPMA = tris(2-pyridylmethyl)amine] and [Cu II (TP MA)Br][Br] complexes in ATRA reactions of polybrominated compounds to alkenes in the presence of reducing agent (AIBN) was reported.
Abstract: The synthesis, characterization and exceptional activity of Cu I (TPMA)Br [TPMA = tris(2-pyridylmethyl)amine] and [Cu II (TPMA)Br][Br] complexes in ATRA reactions of polybrominated compounds to alkenes in the presence of reducing agent (AIBN) was reported. [Cu II (TPMA)Br][Br], in conjunction with AIBN, effectively catalyzed ATRA reactions of CBr 4 and CHBr 3 to alkenes with concentrations between 5 and 100 ppm, which is the lowest number achieved in copper-mediated ATRA. The molecular structure of Cu I (TPMA)Br indicated that the complex was pseudo-pentacoordinate in the solid state due to the coordination of TPMA [Cu I -N: 2.1024(15), 2.0753(15), 2.0709(15) and 2.4397(14) A] and bromide anion to the copper(I) center [CU I -Br 2.5088(3) A]. Variable temperature 1 H NMR and cyclic voltammetry studies confirmed the equilibrium between Cu I (TPMA)Br and [Cu I -(TPMA)(CH 3 CN)][Br], indicating some degree of halide anion dissociation in solution. The coordination of the bromide anion to the [Cu I (TPMA)] + cation resulted in a formation of much more reducing Cu I (TPMA)Br complex (E 1/2 = -720 mV vs. Fc/Fc + ) than the corresponding ClO 4 - (E 1/2 = -422 mV vs. Fc/Fc + ) and PF 6 - (E 1/2 = -421 mV vs. Fc/Fc + ) analogues. In [Cu II (TPMA)Br][Br], the Cu II atom was coordinated by four nitrogen atoms [Cu II -N eq 2.073(2) A and Cu II -N ax 2.040(3) A] from TPMA ligand and a bromine atom [Cu II -Br 2.3836(6) A]. The overall geometry of the complex was distorted trigonal bipyramidal. Cu I (TPMA)Br and [Cu II (TPMA)-Br][Br] complexes showed similar structural features from the point of view of TPMA coordination. The only more pronounced difference in the TPMA coordination to the copper center was observed in the shortening of Cu-N ax bond length by approximately 0.400 A on going from Cu I (TPMA)Br to [Cu II (TPMA)Br][Br].
72 citations
TL;DR: Two new nickel(II) [Ni(L)(2)] and copper(II] complexes have been synthesized with bidentate NO donor Schiff base ligand (2-{(Z)-[furan-2-ylmethyl]imino]methyl}-6-methoxyphenol) (HL) and both complexes Ni(L) and Cu(L(2) have been characterized by elemental analyses, IR, UV-vis, (1)H,
72 citations
TL;DR: Weak interactions involving fluorine have been analyzed in the structure of 6-methoxy-1,2-diphenyl with fluorine substitution at para-, meta-, and ortho positions, respectively, on the 1-phenyl ring.
72 citations
TL;DR: The iron complex displayed a selectivity of 89% for four-electron conversion and demonstrated the fastest reaction kinetics, as determined by a kinetic current of 7.6 mA, comparable to state of the art molecular catalysts.
Abstract: A series of divalent first row triflate complexes supported by the ligand tris(2-pyridylmethyl)amine (TPA) have been investigated as oxygen reduction catalysts for fuel cell applications. [(TPA)M2+]n+ (M = Mn, Fe, Co, Ni, and Cu) derivatives were synthesized and characterized by X-ray crystallography, cyclic voltammetry, NMR spectroscopy, magnetic susceptibility, IR spectroscopy, and conductance measurements. The stoichiometric and electrochemical O2 reactivities of the series were examined. Rotating-ring disk electrode (RRDE) voltammetry was used to examine the catalytic activity of the complexes on a carbon support in acidic media, emulating fuel cell performance. The iron complex displayed a selectivity of 89% for four-electron conversion and demonstrated the fastest reaction kinetics, as determined by a kinetic current of 7.6 mA. Additionally, the Mn, Co, and Cu complexes all showed selective four-electron oxygen reduction (<28% H2O2) at onset potentials (∼0.44 V vs RHE) comparable to state of the art...
72 citations
TL;DR: The Ag(I) complex submitted to in vitro antimycobacterial tests, using the Microplate Alamar Blue (MABA) method, showed a good activity against Mycobacterium tuberculosis, responsible for tuberculosis, with a minimal inhibitory concentration (MIC) value of 11.6microM.
72 citations