Jan Boeyens

• University of Pretoria

The strength and defects of wave mechanics as a theory of chemistry are critically examined. Without the secondary assumption of wave-particle duality, the seminal equation describes matter waves and leaves the concept of point particles undefined. To bring the formalism into line with the theory of special relativity, it is shown to require refor...

Aspects of elementary number theory pertaining to the golden ratio and the golden spiral are shown to be related to and therefore of importance in the simulation of chemical phenomena. Readily derived concepts include atomic structure, electronegativity, bond order, the theory of covalent interaction and aspects of molecular chirality. The physical...

Reviewed in historical context, bond order emerges as a vaguely defined concept without a clear theoretical basis. As an alternative, the spherical standing-wave model of the extranuclear electronic distribution on an atom provides a simple explanation of covalent bond order as arising from the constructive and destructive interference of wave patt...

Some chemical phenomena, awkward to rationalize, are argued to originate in the four-dimensional nature of matter in curved space - time. The problem is traced back to the separation of space and time variables in the analysis of fourdimensional events. Although mathematically sound, this operation is not physically valid. It destroys the essential...

The Thomas–Fermi and Hartree–Fock calculations of non-hydrogen atomic structure rely on complicated numerical computations without a simple visualizable physical model. A new approach, based on a spherical wave structure of the extranuclear electron density on atoms, self-similar to prominent astronomical structures, simplifies the problem by order...

Molecular shape is recognized as an emergent property that complements the projection from four-dimensional space–time to tangent Euclidean space. Projection from hypercomplex algebra to real algebra necessitates the three-dimensional definition of concepts such as chirality, quantum uncertainty and probability density to compensate for errors of a...

The quantum and relativity theories of physics are considered to underpin all of science in an absolute sense. This monograph argues against this proposition primarily on the basis of the two theories' incompatibility and of some untenable philosophical implications of the quantum model. Elementary matter is assumed in both theories to occur as zer...

J.C.A. Boeyens and P. Comba Chemistry by Number Theory J.C.A. Boeyens Chemistry in Four Dimensions C.J.H. Schutte Is the Rydberg-Ritz relationship valid? J.C.A. Boeyens Calculation of Atomic Structure J.C.A. Boeyens Covalent Interaction P. Comba and J.C.A. Boeyens Molecular Shape J.C.A. Boeyens and D. C. Levendis All is Number

Molecular symmetry is intimately connected with the classical concept of three-dimensional molecular structure. In a non-classical theory of wave-like interaction in four-dimensional space-time, both of these concepts and traditional quantum mechanics lose their operational meaning, unless suitably modified. A required reformulation should emphasiz...

Rational numbers, which correctly describe many recognizable patterns in the physical world, are often seen to converge in the process to irrational limits or even singularities. As a common example, atomic numbers are well known as fundamental parameters in chemistry, but by demonstrating that the periodicity of atomic matter is simulated by the c...

This chapter examines the extent to which the promise of a comprehensive theory of chemistry based on valid quantum concepts has been fulfilled. The quantum theory of chemistry starts with the wave model of a single electron as expressed in Schrodinger's equation for matter waves and we analyze the chain of assumptions which led from this to the de...

Bohmian mechanics developed from the hydrodynamic interpretation of quantum events. By this interpretation all dynamic variables retain their classical meaning in quantum systems. It is of special significance in chemistry as a discipline which is traditionally based on the point electrons of quantum field theory. It could be more informative to as...

The self-similar symmetry that occurs between atomic nuclei, biological growth structures, the solar system, globular clusters and spiral galaxies suggests that a similar pattern should characterize atomic and molecular structures. This possibility is explored in terms of the current molecular structure-hypothesis and its extension into four-dimens...

Any cosmological theory must inevitably rest on many diverse concepts and observations. The reader, not familiar with the central thesis, could find it difficult to appreciate the relevance of several apparently unrelated aspects without some guidance. In response we start with a brief outline of standard cosmology, highlighting some paradoxical fe...

The proliferation of textbooks over the last half century has proceeded at such a pace that the burden of keeping up with new developments forces many a new author to repeat the conclusions of their immediate predecessors without thought or question. In the process good faith leads on to dogmatic belief in certain fundamentals, never to be question...

Cosmology is the speculative component of astrophysics, which is the science that interprets astronomical data by using the laws of physics and chemistry. Historically the three concepts, cosmology, astrophysics and astronomy, which included astrology, were integrated into a single pursuit, driven by religious dogma. As scientific data gradually be...

General relativity is widely accepted to have superseded Newton’s laws as a model of gravitational interaction. Assuming gravity to be the major factor that decides the geometrical arrangement of heavenly bodies, general relativity is clearly the best algorithm for cosmology. The theory of special relativity, which requires a four-dimensional space...

Anybody has a sub-conscious understanding of its environment. When shared within a homogeneous society this understanding becomes a common world view, which, expressed in words, represents a cosmography, or description of a communal world. Such a world view incorporates the totality of the collective wisdom of the community. The more individuals th...

The only chemists known to have contributed seriously to cosmology, are Svante Arrhenius (1908) with the eminently sensible suggestion that new stars and planets arise from the debris of previous cycles, and Harold Urey (1952) who advanced chemical arguments to support the idea of aggregation in the spiral arms of a central core that rotates in a n...

Gödel's [Rev. Mod. Phys. 21, 447 (1949)] rotating-universe solution of Einstein's gravitational field equations is interpreted in real projective space. The compass of inertia is shown to coincide with the involuted geodesic of the closed manifold and predicts a cosmological redshift for distant events. Other cosmological criteria of antimatter imb...

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.

The composition of the most remote objects brought into view by the Hubble telescope can no longer be reconciled with the nucleogenesis of standard cosmology and the alternative explanation, in terms of the ?-Cold-Dark-Matter model, has no recognizable chemical basis. A more rational scheme, based on the chemistry and periodicity of atomic matter,...

There is a perception that standard cosmology is firmly based on the general theory of relativity, which is said to supersede the dictates of special relativity. However, this is a fabrication that only serves to corroborate the big-bang fantasy. Ironically, many opponents of the big-bang model fail to recognize this fundamental fallacy at the root...

Modern geometry developed from the work of Euclid which gave rise to two self-contained geometries, known as absolute geometry and affine geometry. Euclidean geometry depends on five postulates: 1. A straight line may be drawn from any point to any other point. 2. A finite straight line may be extended continuously in a straight line. 3. A circle m...

Cosmology is notorious for its reliance on conviction rather than data and the consequent selective use of observational evidence. The process is aggravated by distortion of the evidence by half-scholars with a limited understanding of information received at second hand. Science operates differently and strives to reduce all observed material to a...

The features in common between the well-known Bode-Titius law, other commensurable astronomical relationships, and the organization of self-similar atomic systems are used to demonstrate that the orbital data of all planets, asteroids, moons, and rings in the solar system reduce to a simple numerical pattern based on the golden ratio. A set of inte...

The origins and development of the electronegativity concept as an empirical construct are briefly examined, emphasizing the confusion that exists over the appropriate units in which to express this quantity. It is shown how to relate the most reliable of the empirical scales to the theoretical definition of electronegativity in terms of the quantu...

The quantum and classical views of a molecule are worlds apart, and only the latter has gained popularity in the chemical community. The classical model considers a molecule as a set of atoms connected through electron-pair bonds, structured according to simple valence rules. What is widely considered to be a quantum-mechanical molecular model is d...

Chemistry from First Principles is written for any chemist who requires a fundamental understanding of the complexities of chemistry. It provides a clear interpretation of chemical theory from first principles. This book examines the appearance of matter in its most primitive form, from the vacuum and the diversity that results from the fusion of e...

Philosophers have long speculated that a link exists between natural numbers and the physical world...Pythagoras: "...all is number" John Dalton (1803): "...Atoms combine in simple numerical ratios..." Prout's hypothesis, published anonymously in 1815: "...the elements are different aggregates of the atoms of primordial hydrogen..." Alexandre Émile...

Molecular behaviour, which is no less than magical, holds the key to the understanding, not only of chemistry, but of all biology and of life itself. It is a mystery why molecular behaviour should remain poorly understood and why the authoritative theories of physics have produced no more than superficial models to elucidate this vital issue. An in...

Noting that current chemical theory is based almost exclusively on electronic energy and spin variables the equal importance of orbital angular momentum is explored in this paper. From its clas-sical definition the angular momentum of electrons in an atom is shown to obey Laplace's equation, which automatically leads to discrete values in terms of...

Chemical theories are so firmly based on the molecular-structure hypothesis that a reversal could be chaotic, without necessarily promoting comprehension. When dealing with large molecules there furthermore is a real need to define a rigid molecular structure and, rather than reject the structure hypothesis, it needs more precise exposition. Struct...

Although the given equilibrium conformation of a molecule may be optimized as a function of steric energy, there is no procedure to generate its three-dimensional shape from a spherically symmetrical molecular Hamiltonian. Orbital angular momentum, or the complex phase of the wave function is shown to be of decisive importance in structure generati...

A linear empirical correlation was established between Raman stretching wavenumbers of phosphorus–oxygen bonds and their bond lengths in inorganic crystalline phosphates. Although established on samples of inorganic crystalline phosphates, the correlation can be applied to glassy and amorphous phosphate materials (GAMs). Their unpolarized vibration...

Many new developments, related to the interpretation and importance of symmetry relationships, quantum mechanics, general relativity, field theory and mathematics have occurred in the second half of the 20th century without having a visible impact on chemical thinking. By re-examining basic theories, The New Theories for Chemistry aims to introduce...

Fibonacci phyllotaxis is one of many examples that demonstrate the relationship of biological growth patterns with the golden mean and self-similar symmetry, also observed in scale–rotational crystal growth. An equivalent relationship of natural-number patterns with the structure and periodicity of atomic matter is demonstrated. A generalized, clos...

The aryl isocyanides 1-4 are converted at 150 degrees C into the hexameric pyrazino[1,2-a:4,5-a']diindoles 15-19. 4-Fluorophenyl isocyanide, when heated at 135 degrees C, gave the hexamer 19 and the tetrameric indigo di-arylimine 9, and when kept at ambient temperature gave mainly the tetramer 9 in low yield. The structures of the hexamer 19 and th...

It is demonstrated that all stable (non-radioactive) isotopes are formally interrelated as the products of systematically adding alpha particles to four elementary units. The region of stability against radioactive decay is shown to obey a general trend based on number theory and contains the periodic law of the elements as a special case. This gen...

Theories of Chemistry reviews the theories that underpin chemistry, but yet are not traditionally recognized as such, being normally considered as part of physics. Based on the argument that the needs of chemistry are distinctive, a mathematical structure of topics such as quantum mechanics, relativity theory, thermodynamics and statistical mechani...

CaH4O6S, monoclinic, C12/c1 (No. 15), a = 6.284(1) Å, b = 15.200(1) Å, c = 6.523(1) Å, β= 127.41(1)°, V = 494.9 Å3, Z = 4, Rgt(F) = 0.028, wR ref(F2) = 0.079, T= 293 K.

Molecular mechanics is a simple model, and it is based on a classical parameterization of non-classical effects for the computation of molecular structure. The basic concept of force field calculations is discussed and, based on the theoretical frame, the emerging scope and limits of the approach, and rules for the application, interpretation of th...

The crystal structures of the 2-(2-thienyl)-1-(2-pyrazinyl)ethene (TPE) and 2-(2-thienyl)-1-(2-quinoxalinyl)ethene (TQE) have been studied by single crystal x-ray diffraction. Both the structures exhibit whole molecule disorder and each structure consists of two conformers, related to each other by approximate two fold rotation of one of the hetero...

The many aspects of symmetry are reviewed as a unifying principle in science. Discrete symmetry groups dictate the structures of physical objects and continuous space-time symmetries are the generators of special relativity and quantum operators. Internal symmetry and gauge invariance provide the basis of quantum theory and the electromagnetic fiel...

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.

Chemical reactions occur when reactive species like atoms, molecules or ions are crowded together by environmental factors such as applied pressure, increased temperature or adsorption on a catalytic surface. This brings the valence-electron clouds into interaction and prevents their wavefunctions from extending infinitely as for isolated entities....

The complexes [Mo(η5-C5H5)(CO)2(L)I] (L = P(OMe)3, P(OEt)3, P(OiPr)3, P(OiBu)3, P(OnPn)3) were prepared and characterized by X-ray crystallography. Crystallographic cone (θC) and solid (ΩC) angles for the phosphite ligands were calculated from the ligand conformations in the crystal structures and compared with the available literature data. The st...

The complex [Re(η5-C5H4Me)(CO)(P(OPh 3)Br2] (1) isomerizes from the diag→lat (trans→cis) isomer in the solid state, while [Re(η5-C5H4tBu)(CO) 2Br2] (2) does not isomerize, although 2 is found to isomerize in the melt.

The crystal structures of the diag (trans) and lat (cis) isomers of [Re(η5-C5H4Me)(CO)(P(OPh3)Br2] and [Re(η5-C5H4tBu)(CO)2Br2] are analyzed and compared to determine the structural forces driving the solid-state diag→lat isomerization reaction.

The relationship between bond order (N), harmonic force constant (kr) and characteristic bond length free of strain (r0) for dirhenium bonds has been studied by molecular-mechanics simulation of suitable structures well characterized by X-ray diffraction. It follows the same trend, N=akr=abr0−5, found before for dimolybdenum and dichromium bonds.

Bohmian theory, also known as the causal interpretation of quantum theory, assumes that classical and non-classical concepts merge in the quantum limit, defined as the point where the quantum potential becomes insignificant. In this formalism, particle properties are associated with the wavefronts of wave mechanics, and concepts such as trajectory,...

A new complex, [Fe(acac)L2], bearing inidazolidine nitroxyl-free radical ligand (L-) was recently synthesised for biological studies. It proved to be biologically active against African sleeping sickness, plasmodium falciparum (malaria), leishmaniasis and chaga disease causative agents. Three ESR well resolved peaks indicated the presence of a free...

Of all elementary particles only the electron is generally considered a familiar object. Nevertheless, there is no agreed structure of the electron in science. Classical electrodynamics pictures the electron as a flexible spherical unit of negative electricity held together by an inertial mass, not of electromagnetic origin, and allowing of superlu...

Sixtyseven structure factors for a spheroidal, single crystal of diamond (max diam = 0.052 cm, min diam = 0.040 cm) were measured by XRD with synchrotron radiation and lambda = 0.4 Angstrom. The data were corrected for isotropic extinction from measurements taken with lambda = 0.7 Angstrom. The whole sphere of reflections, up-to a resolution of 0.2...

Through molecular modeling of the available structures containing dimolybdenum bonds of orders 3.5 and 3, solution pairs of harmonic force constant (kr) and bond length (ro) have been obtained as (3.63 mdyne/Å, 2.07 Å) and (3.37 mdyne/Å, 2.10 Å), respectively. Together with the known solution pair for MoMo, this sufficed to establish a general rela...

Compounds containing dichromium bonds have been modeled in comparison with related dimolybdenum systems by molecular mechanics, in order to establish a sampling curve that reflects the functional relationship between characteristic bond length, ro, harmonic force constant, kr, and bond order, N, for all Cr -n Cr. Intersection of the sampling curve...

Single crystal X-ray structures of diag and lat-(η5-C5H4Me)Re(CO)2Br2 have been determined. The diag form crystallizes in the triclinic space group , a = 6.751(2), b = 8.537(1), c = 9.758(1) Å α = 96.70(1), β = 93.15(2), γ = 104.96(2)°, V = 534.8(2) Å3, Z = 2. The lat form is monoclinic, P21/c, a = 11.820(1), b = 7.133(1), c = 12.924(1) Å β = 98.2...

Reinvestigation of the structure reported previously as the Ni(II) complex of TCNTA, by EDS analysis and crystallographic refinement, failed to confirm the presence of nickel and indicated a cobalt complex instead. It is inferred that the crystal of interest, which appeared over a period of months from a nitric acid solution of Ni(II) and the TCNTA...

The modified Morse functions formula presented are capable of describing the interaction between a pair of atoms at all distances by including both covalent interaction at short range and weakly attractive interactions at larger separations. A procedure to solve the Schrödinger equation for these potentials by a Frobenius method is discussed.

The crystal structures of isopropylidene [4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-eno-pyranosyl]- methylmalonate 1 and its β-anomer 2 have been determined by single-crystal X-ray diffraction. Both compounds crystallize with space group P21 and cell constants of 1: a, b, c = 10.635 (1), 8.102 (2), 11.212 (1)° β = 107.20 (1)° and 2: a, b, c = 9...

Two orthorhombic fullerene crystal structures, C60 x 1.5 CS2 and C70 x [(C6H4)CH3)2], have been studied by single crystal X-ray diffraction. These fullerene crystal structures are similar in that they both crystallize in the same orthorhombic space group, that they both have static disorder properties and that their crystal packing is rather alike,...

Electronegativity is one of the most enduring concepts in chemistry, which, on occasion, has been referred to as the third dimension of the periodic table. All this without a secure theoretical basis for this concept. It has now been found that the ground-state energy of the valence electron of an atom in its promotion state provides this theoretic...

The crystalline modification of the title compound from aqueous medium depends critically on factors such as concentration and pH. Crystallographic analysis of a hydrated crystal showed that this effect related to the formation of an extended network of hydrogen bonds that requires the water molecule, as H2O, to be hydrogen bonded three ways. The c...

Molecular modelling is an important growth industry in chemistry, practised by many young scientists, and more often because of the appeal of computers than a desire to understand the fundamentals of the subject. There is a danger that the cowboys of the keyboard could turn a serious pursuit into disrepute and a circus of pretty pictures, unless th...

In the title compound, C11H13N2SSe+.Br-, the Se - S bond length is 2.189 (2) Å and the C(2) - Se and C(1) - S bond lengths are 1.890(3) and 1.765 (3) Å, respectively. The C(2) - Se - S and C(1) - S - Se bond angles are 89.36(10) and 93.36(11)°, respectively. In the planar heterocyclic ring, π-electron delocalization extends over the exocyclic N(2)...

Galilei invariance of the Schrödinger equation requires linearization of the operator S = i ∂/∂t + 1/2m ∇2 by the introduction of anticommuting matrices as coefficients of the linear form. In an external field this leads directly to the Pauli equation, the non-relativistic limit of Dirac's equation. An overview of the complete argument that defines...

Synthesis of two new bis(2-hydroxyethyl)_substituted cyclam (1,4,8,11-tetraazacyclotetradecane) 1,4-bis(2-hydroxyethyl)-8,11-dimethylcyclam (1,4-DMHEC-14) and 1,11-bis(2-hydroxyethyl)-4,8-dimethylcyclam (1,11-DMHEC-14), has enabled a study of the effects of partial hydroxyethylation of the nitrogen atoms in a macrocyclic ligand framework to be made...

The title compound, C19H18N4SSe2, crystallizes in the P (1) over bar space group with two molecules in the asymmetric unit. In both molecules, the chemically equivalent halves are identical within experimental error, except for conformational differences which arise from intermolecular interactions between the flexible seven-membered rings and surr...

The crystal structure of two isomeric oximes, C11N10N2OS have been studied by X-ray diffraction. The open-chain thiocyanato derivative is somewhat'less dense and crystallizes with the orthorhombic space group Pbcn;a,b,c=18.718(1), 10.601(3), 11.528(1) Å,Z=8. The heterocyclic isomer occurs as pseudo-orthorhombic (Cmma)twinned crystals of space group...

The crystalline modification of the title compound from aqueous medium depends critically on factors such as concentration and pH. Crystallographic analysis of a hydrated crystal showed that this effect related to the formation of an extended network of hydrogen bonds that requires the water molecule, as H2O, to be hydrogen bonded three ways. The c...

C60 · 2C8H10 (100 K): hexagonal space group P63, a = 23.694(4), c = 10.046(2) Å, V = 4884(2) Å3, Dx = 1.903 g cm−3, Z = 6, F(000) = 2856, γ(CuKa) = 1.54178 Å, μ = 0.84 mm−1. C60 · 2C8H10 (20 K): hexagonal space group P63, a = 23.67(1), c = 10.02(1) Å, V = 4862(6) Å3, Dx = 1.912 g cm−3, Z = 6, F(000) = 2856, γ(CuKa) = 1.54178 Å, μ = 0.84 mm−1. The s...

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, a...

The structure of the complex of the reinforced ligand dpb {3,7-bis(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonane} with copper(II) perchlorate has been determined: space group Pbcn(no. 60), a= 8.904(2), b= 14.366(1), c= 17.402(2)Å, Z= 4, R= 0.0538. The Cu–N bond lengths to the saturated nitrogens are 2.002(4)Å, and those to the aromatic nitrogens o...

The title compound, C11H18N4S3, contains elongated N-S bonds [1.877(1) and 1.903(1) Angstrom] which are greater by 7.9 and 9.4%, respectively, than the two-centre two-electron N-S bond [1.74 Angstrom; Alien, Kennard, Watson, Brammer, Orpen & Taylor (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-S19]. The lengths of corresponding bonds and the size o...

The most revolutionary result of quantum theory is also the one most commonly ignored by some theoreticians. It is quantum theory that shows how everything in the world is part of everything else, without boundaries and without isolated parts. However, in applications outside of quantum field theory, it is almost invariably an isolated system which...

The concept of quadruple bonding at a dimetal center has been used very successfully to account for the eclipsed conformation of unbridged dimers, contrary to steric demands. The situation is more complicated in the case of bridged dimers with sterically dictated eclipsed structures. Electronic factors operating through bridging, as well as axial,...

The compression of all atoms has been modelled by changing the free-atom boundary condition obeyed by electronic wavefunctions, from r [graphic omitted] ∞, ψ(r)= 0 to r [graphic omitted] ro, ψ(r)= 0, ro < ∞, in numerical Hartree–Fock–Slater calculations of electronic energy levels. As ro decreases, energy levels increase uniformly and by transferri...

A general method for approximate solution of one-dimensional Schrdinger equations with a wide range of square-integrable potentials is described. The potential is expanded in terms of either Jacobi or Bessel functions of argument exp(-r). This allows the Schrdinger equation to be solved by the Frobenius method. In the absence of super-computing pow...