lundi 29 octobre 2007

Periodic table quantum mechanics consistent



Periodic table of the chemical elements quantum mechanics consistent
B. J. Schaeffer

The usual periodic tables (first table) of the chemical elements are already 97 % in accord with quantum mechanics. Three elements only do not fit correctly into it, in disagreement with the Pauli exclusion principle [1]. In order to ensure coherence, it is put forward to place helium beside hydrogen into the s-block. Lutetium and lawrencium pertain to the d block of the transition metals and should not be in the f block with the rare earths or the actinoids. By replacing the lanthanoids (rare earths or lanthanides) and actinoids (actinides) boxes of the official IUPAC periodic table by those of lutetium and lawrencium, with helium placed beside hydrogen, the compact periodic table is 100 % quantum mechanics correct.

History of the periodic table

The Mendeleev table is more than one century old. The number of columns was 6 in 1869, corrected to 8 in 1871, at the origin, based on atomic masses with twelve lines and eight columns, corresponding approximately to the s, p and d blocks of quantum mechanics. The transition metals were moved separately and the corresponding column was replaced by the rare gases after their discovery by Ramsay. Moseley replaced the mass with the atomic number as a classification criterion. The transuranians were discovered by Seaborg who placed the lanthanoids and actinoids separately, below the table, for reasons of compactness.

Various table shapes may be found in the literature. On the usual ones, one line is a period with a total of 6 periods. Columns are grouped approximately in four blocks named s, p, d, f, respectively for the values 0, 1, 2, 3 of the second quantum number l. Each block contains theoretically an even number of elements (a consequence of the Pauli exclusion principle). They are given by the formula 2(2l + 1) e.g. 2, 6, 10, 14. On the IUPAC official table [2], there are 18 columns. Columns 3 to 12 form the d group, the transition metals, formerly part of Mendeleev group VIII. Column VIII was then used for the rare gases and renamed 18. The f block (l = 3) is apart.

Although updated many times, the periodic table has some anomalies shown on he IUPAC official table with question marks. There is a vacant box beside hydrogen and a strange discontinuity below yttrium. With the advent of quantum mechanics, the periodic table got a theoretical background that solves these anomalies.

Helium

It is well known that helium has a 1s2 structure, with two electrons, which is a spherical mode of vibration, the same as hydrogen 1s1, with one electron. Helium, pertaining to the s block, is usually placed with the other rare gases in the p block [3] where the electronic structure is np6 with six electrons in the outer shells instead of two for helium. In 1962 Bartlett showed that the noble gases were not so inert. There exists compounds of xenon and krypton with fluor, chlorine, hydrogen, platinum [4], gold [5]… There is no chemical reason any more to place helium with the other noble gases [6]. The vacant box beside hydrogen should filled with helium where it has its natural place, in accord with quantum mechanics as put forward by Bohr in 1921 [1].

Lutetium and lawrencium

Lutetium and lawrencium are traditionally considered as belonging respectively to lanthanoids and actinoids having 15 elements each. According to the Pauli exclusion principle, the f block contains an even maximum of 14 electrons. Lutetium (also named Cassiopium Cp) pertains to the d block of the transition metals [1] with 10 elements and therefore not to the f block of the lanthanoids. Lutetium is not included in the study of the valency of rare earths by Strange et al [7]. According to Jensen [8], physical and chemical properties unanimously favour the placement of lutetium below scandium and yttrium and not within the lanthanoids. This is also valid for the actinoids, mostly unknown at the time of Bohr. A physical or chemical classification criterion seems difficult to apply to the newly discovered actinoids that decay seconds after they are formed [9].

Updating of the periodic table (second table)

Bent [6] recommends to place helium above beryllium. The exclusion principle is therefore satisfied. Lutetium and lawrencium should be in the d-block below scandium and yttrium. The lanthanoids and actinoids are now 14 each as predicted by quantum mechanics for the f block. The only unambiguous classification criterion is the electronic structure, as was put forward by Bohr and Pauli more than seventy years ago [1].

References

1. Born M., Dougall J., Radcliffe J.M., Blin-Stoyle, R.J., Atomic Physics. Dover, New York, 1989 (first édition in 1935).
2. Holden, N.E. and Coplen Ty., The Periodic Table of the Elements. Chemistry International, 26, No. 1 January-February 2004
3. Scerri, E.R., Some aspects of the metaphysics of chemistry and the nature of the elements. HYLE. 11 (1-2), pp. 127-145, 2005.
4. Bartlett N., Xenon Hexafluoroplatinate(V) Xe+[PtF6]–. Proc. Chem. Soc. (June), 218, 1962.
5. Brisdon A.K., Halogens and Noble Gases. Annu. Rep. Prog. Chem., Sect. A, 97, 107–116, 2001.
6. Bent, A., New Ideas in Chemistry from Fresh Energy for the Periodic Law. Authorhouse, Bloomington, IN, 2006
7. Strange, P., Svane, A., Temmerman, W. M., Szotek, Z., Winter H., Understanding the valency of rare earths from first-principles theory. Nature (London), 399, 756-758, 1999.
8. Jensen, W.B., The Positions of Lanthanum (Actinium) and Lutetium (Lawrencium) in the Periodic Table. Journal of Chemical Education, 59, p. 634-636, 1982.
9. Kendall Powell, Heavy elements: A very brief encounter. Nature, 418, 815-816, 2002.

This paper has been submitted to Nature and rejected without consideration:
"It is Nature's policy to return a substantial proportion of manuscripts without sending them to referees, so that they may be sent elsewhere without delay. Decisions of this kind are made by the editorial staff when it appears that papers are unlikely to succeed in the competition for limited space."

Mes publications

Laboratoire de Minéralogie de l'Université de Strasbourg:

1 - Sur l'effet Bauschinger dans certains cristaux ioniques. C.R. Acad. Sci. Paris, 257, 4170 (1963).En collaboration avec C. DUPUY et H. SAUCIER.

2 - Effet d'un bombardement électronique sur la surface de cristaux de fluorure de lithium. C.R. Acad. Sci. Paris, 260, 1386 (1965)En collaboration avec C. DUPUY et H. SAUCIER.

3 - Mesure des contraintes par photoélasticité dans un cristal cubique transparent. C.R. Acad. Sci. Paris, 260, 1386 (1965).En collaboration avec C. DUPUY et H. SAUCIER.

4 - Etude photoélastique des dislocations dans LiF coloré. phys. stat. solid., 9, 753 (1965).En collaboration avec C. DUPUY et H. SAUCIER.

5 - Nouvelles observations sur les charges électriques apparaissant dans un cristal ionique, à l'émergence d'un plan de glissement. C.R. Acad. Sci. Paris, 260, 4481 (1965).En collaboration avec C. DUPUY et H. SAUCIER.

6 - Création par déformation plastique de centres N2 anisotropes dans LiF coloré C.R. Acad. Sci. Paris, 261, 5424 (1965).En collaboration avec C. DUPUY et H. SAUCIER.

7 - Influence of Colour Centres on the Plastic Deformation of Halide Crystals. Proc. Brit. Ceram. Soc., 6, 257 (1966).En collaboration avec C. DUPUY.

8 - Interaction des dislocations et de défauts ponctuels dans les cristaux de fluorure de lithium déformés plastiquement. J. de Phys., suppl. 7-8, C3-21, (1966)En collaboration avec C. DUPUY et H. SAUCIER.

9 - Etude photoélastique d'un empilement de dislocations dans LiFcoloré. Bull. Soc. Franç. Minér. Crist., 89, 297 (1966).

10 - Variations en fonction de la température de la limite élastique et de la charge électrique des dislocations dans les cristaux de fluorure de lithium irradié. C.R. Acad. Sci. Paris, 264, 474 (1967).En collaboration avec C. DUPUY et H. SAUCIER.

11 - Quelques expériences sur l'évolution des centres colorés dans LiF sous l'influence combinée de la température et de la déformation plastique. J. de Phys., suppl. 8-9, C4-158 (1967).En collaboration avec J. SERUGHETTI, C. DUPUY et H. SAUCIER.

12 - Influence de l'irradiation aux rayons gamma sur les propriétés mécaniques et sur la charge électrique des dislocations dans les cristaux de fluorure de lithium. Bull. Soc savantes 92ème Congrès Nat. Soc. Sav., Strasbourg, 1967, t. 2 p251.En collaboration avec J. SERUGHETTI, C. DUPUY et H. SAUCIER.

Département de Métallurgie de l'Université de Syracuse:

13 - Deformation and the Strip Necking Zone in a Cracked Steel Sheet. Exp. Mech., april 1971, p 172.En collaboration avec H. W. LIU et J. S. KE.
Plastrex-Manurhin:

14 - Influence of the Winding Angle on the Mechanical Properties of Glass Reinforced Epoxy Resin Tubes. PI- RPG Conference, Filament Winding II, 1972, London.En collaboration avec G. PETER et L. GELDREICH.


Centre Technique des Tuiles et Briques:

15 - Résultats récents sur les structures en terre cuite à base de produits creux monolithes de grand format. 3rd Int. Cong. on Brick Masonry, Essen, 1973.En collaboration avec L. VILLAFRADE, C. BEZILLE et C. HUET.

16 - Un granulat céramique pour enduits superficiels routiers anti-dérapants. 3rd Int. Cong. on Brick Masonry, Essen, 1973.En collaboration avec MM. TOURENQ, LEFRANC et HUET.

Centre de Recherches du Bouchet de la SNPE:

17 - La propagation des fissures dans les matériaux viscoélastiques. 2ème Congr. Fr. de Mécanique, Toulouse 1975.

18 - Fracture Criterion for Solid Propellants. Fracture 1977, Vol. 3, ICF4, Waterloo, Canada, 1977.

19 - Rhéologie des propergols en cours de polymérisation. Ind. Min., No spécial Rhéologie, t IV, No 5, 1977.

20 - Critère de rupture et décohésion dans les propergols composites. Mech. Prop. of Matter under High Pressure, EHPRG 17th Mtng, Saclay, 1977.

21 - Tenue mécanique et fiabilité des chargements à propergol solide. Sci. Techn. Armement, 52, 1er fasc., 1978.En collaboration avec J.N. LHUILLIER, R. GONARD, B. GOSSANT, A. HINNEN, G. LANGLOIS et J. LEBOIS.22 - Rupture différée et propagation des fissures dans les propergols composites. Cahiers G.F.R., t V, N? 3, 1980.

23 - Rupture des fonds de douilles combustibles à l'allumage en arme de gros calibre. 5th Int. Symp. on Ballistics, Toulouse, 1980.En collaboration avec P. BENHAIM et J. MALA.24 - Rhéologie des explosifs composites. I.C.T. Congress, Testing Methods for Propellants and Explosives. Karlsruhe, 1980.

A titre personnel:

25 - A lagrangian 'solid' element method for large amplitude movement of a compressible fluid with free surface. 4th Int. Conf. Num. Meth. Laminar Turbulent Flow, Swansea, 1985.

26 - Programme bidimensional de simulation numérique du comportement dynamique des milieux continus deformables. Optimisation des structures et CAO, FEMCAD 87, Paris, 1987.

27 - Possibilités des microordinateurs - Simulation numérique d'une vague déferlante, dont le mouvement en profondeur et le profil sont calculés par microordinateur. Association Technique Maritime et Aéronautique, session 1988, Paris.

28 - Simulation par calcul du comportement dynamique et de la rupture de structures bidimensionnelles. STRUCT-OPT - Optimisation des structures et CAO/DAO, Paris, 21-24 mars 1988.

29 - DEFORM2D: Microcomputer simulation of behaviour and fracture of solid parts using numerical methods. FEMCAD 88, Paris, 17-19 oct 1988.

30 - Simulation numérique du comportement et de la rupture de structures bidimensionnelles. 23ème Congrès du Groupe Français de Rhéologie, Bordeaux, 1988.

31 - Microcomputer capabilities - Numerical simulation of a breaking wave. Water Wave Kinematics, Molde, Norway, May 22-25, 1989.

32 - Numerical simulation of shear bands. Comparison with experiments. European Mechanics Colloquium 252, Bifurcation Phenomena in Solids, Glasgow, 1989.

33 - Forme d'équilibre d'une branche d'arbre. C.R. Acad. Sci. Paris, t. 311,série II, pp 37-43, 1990.

34 - Equilibre mécanique des arbres. 2nd Coll. Int. sur l'Arbre, Montpellier, 10-15 septembre 1990.

35 - Numerical simulation of brittle fracture in ductile materials. ECF8 - Fracture Behaviour and Design of Materials and Structures, p. 885 Torino, 1-5 October 1990.

36 - Simulation numérique sur microordinateur du comportement et de la rupture à grande vitesse de déformation. J. de Physique IV, Colloque C3, suppl. III, vol 1, oct. 1991.

37 - Numerical Modelling of Fast Crack Propagation on a Microcomputer. Localized Damage II, Southampton, 1992, p 11.

38 - Numerical simulation of the dynamical mechanical properties of homogeneous and granular energetic materials. 25th Int. Annual Conference of ICT, june 28- July 1, 1994, Karlsruhe

39 - Simulation numérique du comportement et de la rupture des solides composites ou homogènes. Méc. Ind. et Matériaux, Vol. 48, n° 3, 1995.

40 - Numerical Modeling of the mechanical behaviour of composite materials. - Prog. Adv. Mater. Mech., Proc. Int. Conf. on Adv. Mater., Aug. 12-15, 1996, Beijing.

41 - Relativités et quanta clarifiés, Publibook, Paris, 2007.

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