Structural influence of transition metal (Sc, Y, and Lu) atoms inside gold nanoparticles

Zhao, Li; Hijikata, Yuh; Irle, Stephan

doi:10.1002/qua.25371

Cited by 3 publications

(1 citation statement)

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“…As the valence electrons, these outer electrons positioned outside the nucleus, can be transferred when atoms react together. [13][14][15] Generally speaking, the outer electrons are the only electrons that take part in bonding. The method to get an atomic orbital with the proper character for bonding is called hybridization.…”

Section: Introductionmentioning

confidence: 99%

Hybridization: A Chemical Bonding Nature of Atoms

2017

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Both the bonding mode and geometry can serve as the chemical bonding nature of central cation, which is essentially determined by the atomic orbital‐hybridization. In this work, we focus on the possible chemical bonding scheme of central cations on the basis of a quantitative analysis of electron domain of an atom. Starting from the hybridization of outer atomic orbitals that are occupied by valence electrons, we studied the possible orbital hybridization scheme of atoms in the periodic table and the corresponding coordination number as well as possible molecular geometries. According to distinct hybrid orbital sets, the chemical bonding of central cations can be classified into three typical types, resulting in the cations with a variety of coordination numbers ranging from 2 to 16. Owing to different hybridization modes, the highest coordination number of cations in IA and IIA groups is larger than that in IB‐VIIIB groups, and the coordination number of lanthanide elements is most abundant. We also selected NaNO3, Fe(NO3)3•9H2O, Zn(NO3)2•6H2O, Y(NO3)3•3H2O, and La(NO3)3•6H2O as examples to confirm the direct relationship between chemical bonding characteristics and orbital hybrid set by IR spectra. The present study opens the door to reveal the chemical bonding nature of atoms on the basis of hybridization and will provide theoretical guides in structural design at an atomic level.

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Section: Introductionmentioning

confidence: 99%