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31 result(s) for "Pyykko, Pekka"
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Magically magnetic gadolinium
Pekka Pyykkö discusses the history and characteristics of gadolinium.
The periodic table and the physics that drives it
Mendeleev’s introduction of the periodic table of elements is one of the most important milestones in the history of chemistry, as it brought order into the known chemical and physical behaviour of the elements. The periodic table can be seen as parallel to the Standard Model in particle physics, in which the elementary particles known today can be ordered according to their intrinsic properties. The underlying fundamental theory to describe the interactions between particles comes from quantum theory or, more specifically, from quantum field theory and its inherent symmetries. In the periodic table, the elements are placed into a certain period and group based on electronic configurations that originate from the Pauli and Aufbau principles for the electrons surrounding a positively charged nucleus. This order enables us to approximately predict the chemical and physical properties of elements. Apparent anomalies can arise from relativistic effects, partial-screening phenomena (of type lanthanide contraction) and the compact size of the first shell of every l -value. Further, ambiguities in electron configurations and the breakdown of assigning a dominant configuration, owing to configuration mixing and dense spectra for the heaviest elements in the periodic table. For the short-lived transactinides, the nuclear stability becomes an important factor in chemical studies. Nuclear stability, decay rates, spectra and reaction cross sections are also important for predicting the astrophysical origin of the elements, including the production of the heavy elements beyond iron in supernova explosions or neutron-star mergers. In this Perspective, we critically analyse the periodic table of elements and the current status of theoretical predictions and origins for the heaviest elements, which combine both quantum chemistry and physics. As the International Year of the Periodic Table came to an end in 2019, the authors reflect on the chemistry and physics that drive the periodic table of the elements. This includes aspects of periodic trends, relativistic electronic-structure theory, nuclear-structure theory and the astrophysical origin of the elements.
Is the Periodic Table all right (“PT OK”)?
The history of the Periodic Table and its predecessors spans almost 200 years. The present IUPAC PT for Z = 1−118 is still adequate. The remarkable measurement for the Lr atom does not change the chemistry. The extensions up to Z = 172 are discussed and compared. New data for ions are presented. The “Madelung rule” is found to be surprisingly good even in that range.
Noblesse Oblige
Noble gas chemistry is much richer than most chemists would expect. Noble gases are unreactive because they have completely filled outer electron shells.
Theoretical study on the series of Au3Cl3M2 complexes, with M = Li, Na, K, Rb, Cs
The prediction of the series of complexes [Au 3 Cl 3 M 2 ] with M = Li, Na, K, Rb and Cs, has been achieved at the ab initio level of theory. All geometries were fully optimized at the MP2 level of theory; the central Au 3 cluster is capped by chlorine atoms and the alkaline metals lie above and below the plane of the central ring; aurophilic interactions were found on the metal cluster, and also a strong aromatic character coming from the delocalized d-electrons of the Au atoms according to nuclear independent chemical shift calculations. On the other hand, the chemical hardness parameter was used to test the stability of the series of complexes, and the Fukui indexes of electrophilic and nucleophilic attack were employed to explore possible sites where chemical reactivity may play a role. Figure Molecular representations of the series of complexes [Au 3 Cl 3 M 2 ] (M = Li, Na, K, Rb, Cs) and their corresponding chemical hardness