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By Stepan S. Batsanov, Andrei S. Batsanov

A concise description of versions and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the main up to date experimental facts on power features of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of section transitions, band and lattice energies), optical houses (refractive index, polarisability), spectroscopic features and geometrical parameters (bond distances and angles, coordination numbers) of drugs in gaseous, liquid and stable states, in glasses and melts, for numerous thermodynamic stipulations. structures of metal, covalent, ionic and van der Waals radii, powerful atomic fees and different empirical and semi-empirical types are significantly revised. designated consciousness is given to new and becoming components: structural stories of solids less than excessive pressures and van der Waals molecules in gases. The booklet is addressed to researchers, lecturers, postgraduates and advanced-course scholars in crystallography, fabrics technological know-how, actual chemistry of solids.

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Introduction to Structural Chemistry

A concise description of versions and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the main up to date experimental info on strength features of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of part transitions, band and lattice energies), optical houses (refractive index, polarisability), spectroscopic features and geometrical parameters (bond distances and angles, coordination numbers) of gear in gaseous, liquid and stable states, in glasses and melts, for numerous thermodynamic stipulations.

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Pellarin M, Baguenard B, Broyer M et al (1993) Shell structure in photoionization spectra of large aluminum clusters. J Chem Phys 98:944–950 21. Yamada Y, Castlemann AW (1992) The magic numbers of metal and metal alloy clusters. J Chem Phys 97:4543–4548 44 1 Atom 22. Kietzmann H, Morenzin J, Bechthold PS et al (1998) Photoelectron spectra of Nbn − clusters. J Chem Phys 109:2275–2278 23. Sakurai M, Watanabe K, Sumiyama K, Suzuki K (1999) Magic numbers in transition metal (Fe, Ti, Zr, Nb, and Ta) clusters.

For other Nc he introduced correction factors derived from the changes of interatomic distances actually observed on polymorphous transformations. 11. g. Mn, U, Np, Pu) have less symmetrical structures, where bond lengths vary widely and atoms have different coordination numbers. 6); later Eq. 27 was used by Trömel [123, 124]. 3 Radii of Atoms in Molecules and Crystals 23 Fig. 362 d, b a cross-section of a close-packed motif, l = d It is noteworthy that whilst for most elements the electron configuration of the neutral atom is an unequivocal function of the atomic number, in actinides the 5f, 6d and 7s levels are so close in energy that various polymorph modifications (and other phases) of the same element can have different electron configurations.

Thus, ab initio calculations have shown that the radial function of electron density of an atom has a minimum, which gives a physically meaningful boundary surface between the inner (core) and outer (valence) regions [107–112]. The distance from the nucleus at which the chemical potential is equal to the electrostatic potential of a free atom, has been calculated for a number of elements and proved to be proportional to the covalent radius [113]. The general theory of atoms in molecules (AIM), developed by Bader, has demonstrated that atoms in molecules or solids can be divided by physically meaningful boundary surfaces, rather than regarded as extending to infinity [114–117].

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