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Simple pictures showing orbital shapes are intended to describe the angular forms of regions in space where the electrons occupying the orbital are likely to be found. The diagrams cannot show the entire region where an electron can be found, since according to quantum mechanics there is a non-zero probability of finding the electron (almost ...
It shows the ground state configuration in terms of orbital occupancy, but it does not show the ground state in terms of the sequence of orbital energies as determined spectroscopically. For example, in the transition metals, the 4s orbital is of a higher energy than the 3d orbitals; and in the lanthanides, the 6s is higher than the 4f and 5d.
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 ...
Diagram of the HOMO and LUMO of a molecule. Each circle represents an electron in an orbital; when light of a high enough frequency is absorbed by an electron in the HOMO, it jumps to the LUMO. 3D model of the highest occupied molecular orbital in CO 2 3D model of the lowest unoccupied molecular orbital in CO 2
A diagram showing the five Lagrangian points in a two-body system with one body far more massive than the other (e.g. the Sun and the Earth). In such a system, L 3 –L 5 are situated slightly outside of the secondary's orbit despite their appearance in this small scale diagram.
The atomic orbitals used are typically those of hydrogen-like atoms since these are known analytically i.e. Slater-type orbitals but other choices are possible such as the Gaussian functions from standard basis sets or the pseudo-atomic orbitals from plane-wave pseudopotentials. Example of a molecular orbital diagram.
A non-bonding orbital, also known as non-bonding molecular orbital (NBMO), is a molecular orbital whose occupation by electrons neither increases nor decreases the bond order between the involved atoms. Non-bonding orbitals are often designated by the letter n in molecular orbital diagrams and electron transition notations.
The first excited state has both HOMO electrons paired in one orbital with opposite spins, and is known as singlet oxygen. MO diagram of dioxygen triplet ground state. The bond order decreases and the bond length increases in the order O + 2 (112.2 pm), O 2 (121 pm), O − 2 (128 pm) and O 2− 2 (149 pm). [20]