
D.Michael P. MingosUniversity of Oxford | OX · Department of Chemistry
D.Michael P. Mingos
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Publications (524)
Much of Ken Wade's scientific career was devoted to developing and exploiting the chemistries of boron, aluminium, gallium and indium (the Group 13 elements). He made significant contributions to both experimental and theoretical aspects of the subject and was a highly regarded teacher and attentive research supervisor. Ken was a modest and self-cr...
This paper reviews Roy Johnston's research achievements at Oxford University between 1982 and 1986 and places them in the context of related research which was published during that decade. The research started as an undergraduate project as part of his four-year undergraduate degree course and was completed as a postgraduate student. Thirteen pape...
The valence shell electron pair repulsion theory (VSEPR) provided a three-dimensional interpretation of the structures of simple molecular inorganic compounds by recognising that bonds and lone pairs are both stereochemically active and when taken together define a spherical polyhedron. The polyhedral skeletal electron pair theory (PSEPT) developed...
The valence shell electron pair repulsion theory (VSEPR) added a three-dimensional interpretation of simple molecular inorganic compounds by proposing that bonds and lone pairs are both stereochemically active and together define a characteristic co-ordination polyhedron. The polyhedral skeletal electron pair theory (PSEPT) developed an analogous r...
2021 marks the 50th Anniversary of the publication by Ken Wade’s “The structural significance of the number of skeletal bonding electron-pairs in carboranes, the higher boranes and borane anions, and various transition metal carbonyl cluster compounds” in Chemical Communications. This paper played an important role in the development of cluster and...
The earlier chapter recounted the early history of the development of X-ray crystallography and described how the early technical problems were overcome. It is a fascinating technique because unlike the optical microscope, it required the development of a deeper understanding of the way in which the X-rays interact with the electron density in the...
The discovery of the optical microscope played an important role in the scientific revolution of the seventeenth century because it enabled one to directly view objects which were invisible to the naked eye. In 1667 Robert Hooke improved the microscope invented in the previous century in Holland and used it to examine the “microscopic” appearance o...
The 150th anniversary of the publication of The Principles of Chemistry by Mendeleev has been declared “The International Year of the Periodic Table” by the United Nations and is being marked by a multitude of events around the world. There is no doubt that the Periodic Table occupies an iconic position not only for chemistry but more generally as...
Kossel and Lewis' description of the chemical bonding in ionic and covalent compounds in 1916 made an important contribution, which connected the Periodic Table to modern valence theory. In a 1919 paper Langmuir made the perceptive observation that neutral molecules, which had the same
number of electrons, e.g. N2 and CO and N2O and CO2, had remark...
As 2019 has been declared the International Year of the Periodic Table, it is appropriate that Structure and Bonding marks this anniversary with two special volumes.
In 1869 Dmitri Ivanovitch Mendeleev first proposed his periodic table of the elements. He is given the major credit for proposing the conceptual framework used by chemists to systemati...
As 2019 has been declared the International Year of the Periodic Table, it is appropriate that Structure and Bonding marks this anniversary with two special volumes.
In 1869 Dmitri Ivanovitch Mendeleev first proposed his periodic table of the elements. He is given the major credit for proposing the conceptual framework used by chemists to systemati...
The seminal papers of Lewis and Kossel in 1916 are put into a historical perspective. Mendeleev’s periodic table, Thompson’s discovery of the electron, Ramsay and Raleigh’s discovery of the noble gases, Rutherford’s model of the atom and Bohr’s description of the stationary orbitals for the electrons in atoms all paid an important role in providing...
No abstract is available for this article.
In order to understand the launching in 1966 of Structure and Bonding, it is necessary to appreciate the factors which contributed to the emergence of inorganic chemistry as an equal branch of chemistry. A variety of social and economic factors contributed to the transformation of inorganic chemistry from an essentially descriptive subject into an...
Cobalt boryl complexes, which have only been sporadically reported, can be accessed systematically with remarkable (but controllable) variation in the nature of the MB bond. Complexes incorporating a very strong trans σ-donor display unparalleled inertness, reflected in retention of the MB bond even in the presence of extremely strong acid. By co...
This review provides a theoretical underpinning of previously published definitions of ambidentate, ambivalent and ambiphilic ligands. The study encompasses ambivalent ligands such as NO, NR, N2R; ambiphilic molecules such as SO2, I2 and ambiphilic transition metal complexes, e.g. [Pt(PCy3)2]. These ambivalent molecules adopt alternative geometries...
The study of gold cluster compounds originated from Malatesta’s syntheses of tertiaryphosphine derivatives in the 1960s and was greatly extended between 1970 and 2000. Single crystal X-ray studies defined the major structural classes and led to the development of a theoretical model which accounted for their closed shell requirements in terms of th...
The very strong reducing capabilities of the boryllithium nucleophile (THF)2Li{B(NDippCH)2} (1, Dipp = 2,6-iPr2C6H3) render impractical its use for the direct introduction of the {B(NDippCH)2} ligand via metathesis chemistry into the immediate coordination sphere of transition metals (d(n), with n ≠ 0 or 10). Instead, 1 typically reacts with metal...
This review discusses ambivalent and ambiphilic molecules, which includes transition metals and main group molecules (or ions). It encompasses ambivalent ligands such as NO, NR, N2R; ambiphilic molecules such as SO2, I2 and ambiphilic transition metal complexes, e.g. [IrCl(CO)(PPh3)2]. Adducts of these ambivalent molecules are able to change geomet...
The study of gold cluster compounds origin/ated from Malatesta’s syntheses of tertiary phosphine derivatives in the 1960s and was greatly extended between 1970 and 2000. Single crystal X-ray studies defined the major structural classes and led to the development of a theoretical model which accounted for their closed shell requirements in terms of...
This review proposes that the nitric oxide belongs to an important subclass of ambivalent molecules, which includes transition metals and main group molecules (or ions). The subclass encompasses ambiphilic molecules such as SO2 and I2, a range of ligands with nitrogen or oxygen donor atoms and some transition metal complexes in low oxidation states...
This review provides a historical introduction to nitrosyl complexes. In the 1960s and 1970s, the renaissance of coordination chemistry led to the detailed study of nitrosyl complexes, and the emerging of new spectroscopic and structural techniques were used to define the metrics of nitric oxide when coordinated to transition metals and established...
This review provides a historical introduction to nitrosyl complexes. In the 1960s and 1970s, the renaissance of coordination chemistry led to the detailed study of nitrosyl complexes, and the emerging of new spectroscopic and structural techniques were used to define the metrics of nitric oxide when coordinated to transition metals and established...
Colloidal gold is a suspension of sub-micrometre-sized particles of gold in a fluid either water or an organic solvent. Although the gold colloids cannot be viewed using optical microscopy, the sol has an intense colour (red for particles less than 100 nm or blue/purple for larger particles). The unique optical, electronic and molecular recognition...
This review discusses ambivalent and ambiphilic molecules, which includes transition metals and main group molecules (or ions). It encompasses ambivalent ligands such as NO, NR, N2R; ambiphilic molecules such as SO2, I-2 and ambiphilic transition metal complexes, e. g. [IrCl(CO)(PPh3)(2)]. Adducts of these ambivalent molecules are able to change ge...
Dennis R. Salahub et al. Recent Progress in Density Functional Methodology for Biomolecular Modeling
Eugene Serge Kryachko Density Functional Theory and Molecular Interactions: Dispersion Interactions
Radu Silaghi-Dumitrescu Redox Activation of Small Molecules at Biological Metal Centers
Mauro Causà et al. The Bond Analysis Techniques (ELF and Maxi...
A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- Orbital Models and Electronic Structure Theory.- Sturmians and Generalized Sturmians in Quantum Theory.- Chemistry as a "Manifestation of Quantum Phenomena" and the Born-Oppenheimer Approximation? From Ligand Field Theory to Molecular Collision Dynam...
Mihai V. Putz Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate
Roman F. Nalewajski Information Theory Insights into Molecular Electronic Structure and Reactivity
George Maroulis Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative...
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
IntroductionTheoretical basis of dielectric heatingDielectric properties of solidsComparison of microwave and conventional heatingAcknowledgementReferences
Schmetterlingscluster: Die Hydrierung eines kationischen Iridiumkomplexes mit dem sterisch anspruchsvollen N-Liganden Tetrahydrochinolin (thq) liefert zwei tetramere Polyhydride (siehe Schema; Ir grün, N blau, P violett), die sich im Ersatz eines thq- gegen einen Hydridliganden unterscheiden. Beide Komplexe haben Schmetterlingsstrukturen mit ähnlic...
The extent of time-dependent deactivation of monophosphine monoamine iridium hydrogenation catalysts by trimer formation is strongly dependent on ligand structure; attempts to counter this process lead to the observation of an oligomerisation resistant catalyst.
D. functional theory (DFT) calcns. were carried out on the terminal EQ complexes [(N3N)W(EQ)] {N3N = N(CH2CH2NSiMe3)3; E = P, As, Sb, Bi; Q = O, S, Se Te} to clarify the bonding situation within the linear Nax-W-E-Q core. This unusual structural motif gives rise to a bonding arrangement in which the pi-electron d. is delocalised over the three atom...
The availability of remarkably efficient search engines has made the access to the relevant literature and specific facts remarkably quick and efficient, but the information retrieved is not always refereed, checked or placed in its appropriate context. As Henry Kissinger [1] has remarked: "The computer has solved the problem of storing knowledge a...
The implications of the Complementary Spherical Electron Density Model, originally developed by Mingos and Hawes in 1985 and amplified in 2004, to co-ordinatively unsaturated intermediates in homogenous catalytic processes are discussed. The geometric consequences of the model for 16 and 14 electron complexes are particularly important and are supp...
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Zwei ineinander verschlungene Au6-Ringe, deren einzelne Metallatome uber Ethinyl-Liganden verknupft sind, liegen in der Titelverbindung [{Au(CCtBu)}6]2 vor. Dieses prazedenzlose metallorganische Catenan entsteht durch spontane Selbstorganisation, moglicherweise durch Au-Au-Wechselwirkungen unterstutzt, bei der Umsetzung von [Au(NH3)2]BF4 mit tBuCCH...
The oscillatory behaviour during the complete/partial oxidation of methane over a range of metal catalysts has been reviewed, including palladium, cobalt, nickel and nickel/chromium alloy. Emphasis has been placed on the understanding of the mechanism of the rate oscillations over catalyst surfaces.
The oscillatory behaviour during the complete/partial oxidation of methane over a range of metal catalysts has been reviewed, including palladium, cobalt, nickel and nickel/chromium alloy. Emphasis has been placed on the understanding of the mechanism of the rate oscillations over catalyst surfaces.
In the presence of chloride or bromide in the appropriate mixture of solvents, 6 equiv of nickel(II) and 8 equiv of Hatu [Hatu=H2NC(=NH)NHC(=S)NH2] assemble to yield the metallacages [Ni6(atu)8X][ClO4]3 (atu=deprotonated form of Hatu; X=Cl, 5; Br, 6) where four "units" of the square-planar complex Ni(atu)2 are coordinated to two further nickel cent...
The Complementary Spherical Electron Density Model developed by Mingos and Hawes in 1985 is reviewed and its implications to 18 electron complexes and co-ordinatively unsaturated complexes are developed. The Complementary Spherical Electron Density Model developed by Mingos and Hawes in 1985 is reviewed and its implications to 18 electron complexes...
The reactions that lead to the formation of the 42-electron cluster [PdCl(P(NPr(i)(2))(2))](3) from various sources of the [P(NPr(i)(2))(2)] moiety are investigated, and the structure of the triangulo cluster confirmed by X-ray crystallography.
Microwave heating was applied in the oxidative coupling of methane to higher hydrocarbons over alumina supported La2O3/CeO2 catalysts. It was found that microwave heating had a dramatic effect on the reaction when methane was converted into C2 hydrocarbons in the absence of oxygen, with products produced at measured temperatures about 250 °C lower...
The oscillatory behaviour over cobalt wire and foil catalysts was examined at atmospheric pressure under various reaction temperatures and argon/methane/oxygen feed gas compositions for the partial oxidation of methane. Rough and porous oxide layers on the catalyst surface were confirmed by scanning electron microscopy (SEM) and X-ray diffraction (...
We have reported previously that the reaction of [Pd2(dba)3]
(dba = dibenzylideneacetone) with PBz3 in the presence of SO2 yields [Pd2(μ-SO2)(μ-dba)(PBz3)2]
(1) and [Pd3(μ-SO2)3(PBz3)3]
(2)
(which can be prepared selectively by varying the concentration of SO2). Here the reactions of 1 and 2 with PPh2py (diphenylpyridine phosphine) to yield [Pd2(μ-...
Microwave heating was applied to the catalytic reforming reaction of methane with carbon dioxide over platinum catalysts. It was found that CO2 and CH4 conversions and the product selectivity (H2/CO) were generally higher under microwave conditions than that obtained with conventional heating at the same measured temperature. The effect of microwav...
The effect of microwave dielectric heating on both endothermic and exothermic reactions was investigated. Apparent equilibrium shifts for both reactions were observed which were attributed to the formation of spatial hot spots in the catalyst bed. The possible location of remarkable temperature gradients was examined experimentally and theoreticall...
For Abstract see ChemInform Abstract in Full Text.
Oscillatory reactions over nickel wires during the partial oxidation of methane were investigated in a tubular continuous flow reactor made of quartz at atmospheric pressure. A modified thermocouple was designed to measure the temperature while the interposed nickel coil worked as a catalyst. Significant effects on the oscillations were observed by...
Oscillatory reactions over palladium foil and wire catalysts during the oxidation of methane have been investigated over a wide range of reaction temperatures and argon/methane/oxygen feed gas compositions. Characterisation of the catalyst has also been carried out using scanning electron microscopy (SEM) techniques, which revealed the presence of...
The effects of temperature and microwave frequency on the dielectric properties of MoS2 and Pt catalysts together with an aluminum oxide support were investigated. Dielectric constants and dielectric loss factors were measured in a temperature range of 200-800 °C by a cavity resonator technique with a cylindrical copper cavity resonating in TM0n0 m...
The study of the partial oxidation of methane over nickel foils has been carried out over a wide range of reactor temperatures (748-930 C) and feed-gas compositions (Ar/CH4/O2), ranging from 30:29:1 to 30:12:18 cm3 min-1 at atmospheric pressure. The product formation shows pronounced oscillations. A modified thermocouple was designed to measure the...
Liquid-phase synthetic reactions that require the use of metal powders are widely regarded as being unsuited to heating with microwave radiation, as they tend to exhibit destructive arcing. In a previous paper, we examined the factors that lead to arcing in these systems and, hence, how it may be controlled. This paper describes the application of...
The reactions between silver(I) salts and tert-butylacetylene in the presence of different anions (i.e. F−, Cl−, Br−, BF4− Tos− and NO3−) are reported. When fluoride, chloride or bromide salts are present, AgBF4 reacts with tert-butylacetylene to yield the rhombic dodecahedral silver-alkynyl cages [Ag14(CCtBu)12X][BF4] (X=Cl, 1; Br, 2; F, 3). The...
The coordination behaviour of the readily prepared, potentially ambidentate, bis(α,α′-phosphanyl)imine (iPr2N)2PCH2C(=NiPr)CH2P(NiPr2)2 (1, PNP) has been investigated. Treatment of palladium(II), platinum(II), chromium(0), and molybdenum(0) sources with ligand 1 afforded complexes in which 1 was coordinated solely in a bidentate P,N-chelating fashi...
Although alkynyl complexes of Group 11 and 12 metals have been known for many years, recent crystallographic studies have revealed some interesting and novel structural features. These result from the combination of the alternative bonding modes available to the alkynyl ligand and the occurrence of weak metal–metal interactions. These come together...
Ein Anion als Templat muss sein, damit sich die Käfigverbindungen [Ag14(C≡CtBu)12X]OH (X=Cl, Br) bilden, in denen das zentrale X-Atom von einem rhombischen Dodecaeder aus Silberatomen umgeben ist (siehe Bild). Die Silberatome werden sowohl durch verbrückende Alkinylgruppen (nicht gezeigt) als auch durch Ag⋅⋅⋅Ag-Wechselwirkungen zusammengehalten. Oh...
A historical background to Dewar's development of a bonding model for metal–alkene complexes in 1951 is reviewed and its implications described. Chatt and Duncanson's subsequent contribution is also reviewed.
A supramolecular triangle results, instead of the expected square, from the reaction of a compact, ditopic 90° platinum(II) center and the most rigid, aromatic linear linker, pyrazine (see picture). This unexpected species is characterized both in solution and the solid state.
The catalytic reduction of sulfur dioxide with methane to form carbon dioxide and sulfur has been studied over MoS2/Al2O3 catalysts. The reaction has been found to occur with microwave (2.45 GHz) heating at recorded temperatures as much as 200°C lower than those required when conventional heating was used. An activation energy of 117 kJ mol−1 has b...
The temperature of supported MoS2 and Pt catalysts was measured during microwave heating at constant input power by inserting a thermocouple into the center of the catalyst bed immediately after the microwave power had been turned off at the end of progressively longer heating times. Thermal runaway was observed with MoS2/Al2O3 and Pt/Al2O3 at temp...
The temperature of supported MoS2 and Pt catalysts was measured during microwave heating at constant input power by inserting a thermocouple into the center of the catalyst bed immediately after the microwave power had been turned off at the end of progressively longer heating times. Thermal runaway was observed with MoS2/Al2O3 and Pt/Al2O3 at temp...
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
A chromel–alumel thermocouple has been found to catalyse the methane/oxygen reaction, the main products being CO, H 2 with some CO 2 and H 2 O. Regular oscillations in both reactants, products and temperature have been observed at temperatures around 700 • C. Similar behaviour has been obtained using nickel wires.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and...
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and...
The reactions between the mercury−dialkynyl complexes [Hg(CCR)2] (R = C6H5, −C6H4−CH3-4, and −C(CH3)3) and a series of Ag(I) and Cu(I) compounds are reported. Compounds with the general formula [Hg(CCR)2Cu2(CH3CN)4][PF6]2, [Hg(CCR)2M2(L)2]X2 (M = Ag, Cu; R = C6H5, −C6H4−CH3-4, and −C(CH3)3; L = 2,2‘-bipyridine, 1,10-phenanthroline; X = PF6 or BF4),...
The preferred tautomeric form of 5-(2-pyridylmethylene)pseudothiohydantoin 1 in the solid and solution states has been determined by natural abundance high-resolution 15N NMR studies and by a single crystal X-ray structural analysis.