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Molecular orbital diagrams are diagrams of molecular orbital (MO) energy levels, shown as short horizontal lines in the center, flanked by constituent atomic orbital (AO) energy levels for comparison, with the energy levels increasing from the bottom to the top. Lines, often dashed diagonal lines, connect MO levels with their constituent AO levels.
Molecular orbital diagram of two singlet excited states as well as the triplet ground state of molecular dioxygen. From left to right, the diagrams are for: 1 Δ g singlet oxygen (first excited state), 1 Σ + g singlet oxygen (second excited state), and 3 Σ − g triplet oxygen (ground state). The lowest energy 1s molecular orbitals are ...
The orbital wave functions are positive in the red regions and negative in the blue. The right column shows virtual MO's which are empty in the ground state, but may be occupied in excited states. In chemistry, a molecular orbital (/ ɒr b ə d l /) is a mathematical function describing the location and wave-like behavior of an electron in a ...
Date/Time Thumbnail Dimensions User Comment; current: 22:16, 7 January 2015: 430 × 648 (58 KB): Rjlanc: defining z as bond direction with x and y for pi orbitals
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The dot-and-cross diagram for molecular oxygen in the ground state. The oxygen nuclei are as indicated and the electrons are denoted by either dots or crosses, depending on their relative spins. The above three-dimensional LDQ structures are useful for visualising the molecular structures, but they can be laborious to construct.
In the simple MO diagram of H 2 O, the 2s orbital of oxygen is mixed with the premixed hydrogen orbitals, forming a new bonding (2a 1) and antibonding orbital (4a 1). Similarly, the 2p orbital (b 1) and the other premixed hydrogen 1s orbitals (b 1) are mixed to make bonding orbital 1b 1 and antibonding orbital 2b 1. The two remaining 2p ...
For instance, the lone pairs of water are usually treated as two equivalent sp x hybrid orbitals, while the corresponding "nonbonding" orbitals of carbenes are generally treated as a filled σ(out) orbital and an unfilled pure p orbital, even though the lone pairs of water could be described analogously by filled σ(out) and p orbitals (for ...