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The properties of the lanthanides arise from the order in which ... 4f 6: 4f 7: 4f 7 5d 1: 4f 9: 4f 10: 4f 11: 4f 12: ... The valence orbitals in lanthanides are ...
The lanthanide contraction is the greater-than-expected decrease in atomic radii and ionic radii of the elements in the lanthanide series, from left to right. It is caused by the poor shielding effect of nuclear charge by the 4f electrons along with the expected periodic trend of increasing electronegativity and nuclear charge on moving from left to right.
To understand how to get the number of functions, consider the cc-pVDZ basis set for H: There are two s (L = 0) orbitals and one p (L = 1) orbital that has 3 components along the z-axis (m L = −1,0,1) corresponding to p x, p y and p z. Thus, there are five spatial orbitals in total. Note that each orbital can hold two electrons of opposite spin.
The p orbital can hold a maximum of six electrons, hence there are six columns in the p-block. Elements in column 13, the first column of the p-block, have one p-orbital electron. Elements in column 14, the second column of the p-block, have two p-orbital electrons. The trend continues this way until column 18, which has six p-orbital electrons.
Lanthanide metals react exothermically with hydrogen to form LnH 2, dihydrides. [1] With the exception of Eu and Yb, which resemble the Ba and Ca hydrides (non-conducting, transparent salt-like compounds),they form black pyrophoric, conducting compounds [6] where the metal sub-lattice is face centred cubic and the H atoms occupy tetrahedral sites. [1]
The rule is based on the fact that the valence orbitals in the electron configuration of transition metals consist of five (n−1)d orbitals, one ns orbital, and three np orbitals, where n is the principal quantum number. These orbitals can collectively accommodate 18 electrons as either bonding or non-bonding electron pairs.
The outer valence electrons are more strongly attracted by the nucleus causing the observed increase in ionization potentials. The d-block contraction can be compared to the lanthanide contraction , which is caused by inadequate shielding of the nuclear charge by electrons occupying f orbitals.
The localized orbital corresponding to one O-H bond is the sum of these two delocalized orbitals, and the localized orbital for the other O-H bond is their difference; as per Valence bond theory. For multiple bonds and lone pairs, different localization procedures give different orbitals.