Relativistic quantum chemistry
From Wikipedia, the free encyclopedia
Relativistic quantum chemistry is a branch of quantum chemistry that applies relativistic mechanics, and, in particular the Dirac equation or an approximation to it (e.g., at the lowest level, the Pauli equation), to electron dynamics and chemical bonding, especially the behavior of the heavier elements of the periodic table.
Many of the chemical and physical differences between the 6th Row (Cs-Rn) and the 5th Row (Rb-Xe) arise from the larger relativistic effects for the former. These relativistic effects are particularly large for gold and its neighbours, platinum and mercury.
Some of the phenomena commonly attributed to relativistic effects are:
- The low melting point of mercury
- Aurophilicity
- The inert pair effect
- The stability of Mercury(IV) fluoride
- The color of gold
- The stability of the uranyl cation, as well as other high oxidation states in neptunium and plutonium
[edit] References
- P. A. Christiansen; W. C. Ermler; K. S. Pitzer. Relativistic Effects in Chemical Systems. Annual Review of Physical Chemistry 1985, 36, 407-432. doi:10.1146/annurev.pc.36.100185.002203