Theoretical investigation of the single and double ionization spectra of M(CO)6, M = W and CrAbstract In this work, we study the single and double ionization spectra of the , with complexes by applying the four-component algebraic diagrammatic construction and Fock-space coupled cluster methods to extend earlier studies based on less demanding approaches. The computed single and double ionization po [...] 1298 6553 |
Synthesis of Tris(arylphosphite)-ligated Cobalt(0) Complexes [Co2(CO)6{P(OAr)3}2], and their Reactivity towards Phenylacetylene and DiphenylacetyleneAbstract The dinuclear complexes [Co2(CO)6{P(OAr)3}2] (1a, Ar = Ph; 1b, Ar = o-Tol) were prepared and reacted with PhC≡CH and PhC≡CPh to y [...] 1438 8134 |
The Unexpected Synthesis of a New (μ2-hydroxo-μ2-peroxo) Dicobalt Complexby
Yashiro Rojas
,
Evana Halaka
,
Mary Hanna
,
Alex Sidotu
,
Jehan Joma
,
Mina Mikhael
,
Roger A. Lalancette
and
Ivan Bernal
Abstract The compound, [cis-dichloro-(tris-2-amino(ethylamine))cobalt(III)]chloride hydrate, [cis-Cl2-(tren)Co(III)Cl]·H2O, a conglomerate crystallizing in P21 with Z = 4 (Z’ = 2), has been used as a precursor in the synthesis of a new dicobalt(III) peroxo complex: [(μ2-hydroxo)(μ2-peroxo)bis(tris-2-amino(et [...] 1385 7211 |
1-Decylbenzimidazole Copper(II) Complexes: Combined Experimental and DFT PCM and TD-DFT Computational StudiesAbstract 1-Decylbenzimidazole (dbim) copper(II) complexes formed during solvent extraction were thoroughly studied, and their structures were predicted. Density functional theory (DFT) calculations of their structures and Time-dependent DFT (TD-DFT) calculations of their spectra indicated that 1-decylbenzimi [...] 1338 7482 |
A Preparation and Structural Characterization of the Hydrated Trifluoride Salt of the [Co(NH3)6]3+ Cation: [Co(NH3)6]F3 · 2H2O. The Unexpected Preparation of [Co(NH3)6](BF4)(SiF6) from Pyrex Glass, and the Syntheses and Structures of (NH4)[Co(NH3)6](BF4)2(2Cl) and of (NH4)[Co(NH3)6]2(SiF6)3(Cl) · 3H2OAbstract It is historically interesting to note that, whereas the [Co(NH3)6]3+ cation was isolated by Tassaert in 1798 (which he described as the tri-chloride) and that, in the early days of Coordination Chemistry, Jørgensen and Werner isol [...] 1267 8205 |
A Methodology to Estimate Net Proton: Phosphorus Co-Adsorption Ratios for Acidic SoilsAbstract Despite extensive research, the behaviour of the key nutrient element, phosphorus (P), in soil is not yet fully understood. This study focussed on the outstanding issue of the co-adsorption of protons (H+) and P by soils. We developed a congruent set of measures to determine the net H+:P co-adsorpti [...] 1327 8513 |
An Estimate of Possible Impacts of Superoxide Chemistry on Seawater pH: A Mapping ExerciseAbstract Superoxide, produced photochemically as well as microbially, is an important reactant present in seawater and a major source of hydrogen peroxide. Superoxide decay may occur through catalyzed or uncatalyzed dismutation forming H2O2 and O2, through oxidation to O2, or through reduction into H2O2. Und [...] 1174 7304 |
Personal Observations on the Critical and Unusual Role of Palladium Environment on Reaction PathwaysAbstract This article summarizes some surprising palladoreactions occurring in a transition metal environment, discovered by our team, and the proposed corresponding mechanisms. 1197 7770 |
Vanadium: Biological, Environmental, and Engineering AspectsAbstract Vanadium is an element that is widely distributed in Earth’s crust as well as in sea-water and ground-water reservoirs. Therefore, it exerts a great influence on the issues related to life and environment. Vanadium is utilized by several marine organisms. For example, there are vanadate-dependent ha [...] 1503 9580 |
Solvatochromism of Copper(II) Complexes Derived from Trifluoroacetylacetone and Dinitrogen LigandsAbstract Mixed ligand copper(II) complexes of the empirical formula [Cu (L)(TFAA)]X, where L represents 2,2´-bipyridine (Bipy), 1,10´-phenanthroline (Phen), or 4,7-diphenyl-1,10´- phenanthroline (Dphen), TFAA is 1,1,1-Trifluoro-2,4-pentanedione, and X is the counter ion (BF4- or ClO4-), were synthesized and [...] 1669 9812 |