by Behnam Nikoobakht  , Gulzari L. Malli  and Martin Siegert

Received: 26 April 2020;  Published: 14 December 2020;  doi: 10.21926/acr.2004010

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 potentials are in good agreement comparing with the available experimental results. The electronic structures of the cationic molecular systems are carefully investigated by computing accurately single and double ionizatio [...]

by Isabelle Jourdain  , Michael Knorr  , Lukas Brieger  and Carsten Strohmann

Received: 07 September 2020;  Published: 25 November 2020;  doi: 10.21926/acr.2004009

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 yield dimetallatetrahedranes [{(ArO)3P}(OC)2Co-Co(μ-RC≡CPh)(CO)2{P(OAr)3}] (3a, Ar = Ph, R = H; 3b, Ar = o-Tol, R = H; 3c, Ar = Ph, R = Ph; 3d, Ar = o-Tol, R = Ph). The main reaction of diphenylacetylene was accompanied by a side reaction, leading to the dissociation of a P(OAr)3 ligand for the formation of mono(phosphite) complexes [{(ArO)3P}(OC)2Co-Co(μ-PhC≡CPh)(CO)3] (2b, R = Ph; 2d, R [...]

by Yashiro Rojas  , Evana Halaka  , Mary Hanna  , Alex Sidotu  , Jehan Joma  , Mina Mikhael  , Roger A. Lalancette  and Ivan Bernal

Received: 26 July 2020;  Published: 07 September 2020;  doi: 10.21926/acr.2003008

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(ethylamine))di-cobalt(III)] tris(triiodide) dihydrate. This material crystallizes, without disorder, in space group P212121 with Z = 4 (Z’ = 2), thus making it, unambiguously, an example of a conglomerate. Its cell constan [...]

by Marek Łożyński  , Iwona Mądrzak-Litwa  and Aleksandra Borowiak-Resterna

Received: 29 June 2020;  Published: 27 August 2020;  doi: 10.21926/acr.2003007

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-decylbenzimidazole forms both mono- and binuclear complexes with copper(II), with coordination numbers of 4 or 5. At the molar ratio of [Cu(II)]aq/[dbim]org ≥ 1 and at [Cl-]aq ≥ 0.9 mol dm-3 in the extraction media, a binuclear 1:1 [...]

by Sandra Mikhael  , Maria Shawky  , Gulraiz Hashmi  , Ivan Bernal  and Roger A. Lalancette

Received: 28 June 2020;  Published: 23 July 2020;  doi: 10.21926/acr.2003006

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 isolated many of its other salts, the fluoride was never reported. In fact, in relatively modern times, lack of success was, invariably, the result of attempting its isolation and full characterization. Significantly, there is no entry for its structure in standard sources such as Inorganic C [...]

by Paul Taglieri  , Paul Milham  , Paul Holford  and R. John Morrison

Received: 07 November 2019;  Published: 13 April 2020;  doi: 10.21926/acr.2002005

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-adsorption ratio and tested it on goethite, for which a ratio of 1.6:1 had been estimated under CO2-free conditions for additions of NaH2PO4. Under our conditions, and using additions of KH2PO4, the net H+:P co-adsorption ratio [...]

by Marco Minella  , Khan M.G. Mostofa  , Cong-qiang Liu  and Davide Vione

Received: 05 September 2019;  Published: 21 January 2020;  doi: 10.21926/obm.acr.2001004

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. Under definite circumstances, the redox processes that are different from dismutation could produce or consume H+, thereby altering the pH of seawater. In order to alter the pH, these processes have to involve, together wit [...]

by Jacques Muzart

Received: 10 October 2019;  Published: 08 January 2020;  doi: 10.21926/acr.2001003

This article summarizes some surprising palladoreactions occurring in a transition metal environment, discovered by our team, and the proposed corresponding mechanisms.

by Dieter Rehder

Received: 18 December 2019;  Published: 08 January 2020;  doi: 10.21926/acr.2001002

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 haloperoxidases in algae and several bacteria, e.g., Azotobacter, use it for nitrogen fixation and bacterial reduction involves the conversion of vanadate to oxidovanadium (IV). The similarity between vanadate and phosphat [...]

by Azza. A. Abou-Hussein  , Wolfgang Linert  and Nelly H. Mahmoud

Received: 18 September 2019;  Published: 19 November 2019;  doi: 10.21926/acr.1904001

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 characterized by spectroscopic, magnetic, molar conductance, elemental, and thermal analysis. Solvatochromic studies revealed that all the complexes showed bathochromic shifts. A square planar geometric structure is prop [...]