Describe any diatomic or small molecule and get a clean, labeled MO diagram in seconds. Bonding and antibonding orbitals, electrons filled in with arrows, energy axis, and bond order, ready for class or lab.
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O2 MO diagram with sigma and pi orbitals filled, two unpaired electrons in the degenerate pi* orbitals confirming paramagnetism, and bond order 2 labeled.
N2 MO diagram with all bonding MOs filled and no unpaired electrons, giving bond order 3 and diamagnetic character.
The simplest MO diagram: two 1s atomic orbitals combine to form a sigma bonding MO (filled) and a sigma* antibonding MO (empty), giving bond order 1.
F2 MO diagram with 18 electrons filled. Many antibonding orbitals are occupied, resulting in a net bond order of only 1.
A conceptual MO diagram illustrating how atomic orbitals combine to form lower-energy bonding MOs and higher-energy antibonding MOs, with the energy axis clearly labeled.
An annotated MO diagram showing the full electron configuration with the bond order formula (bonding minus antibonding electrons divided by 2) worked out explicitly beneath the diagram.
Start with one of these examples, then adapt the subject, labels, data, or layout for your own use.
O2 MO diagram with sigma and pi orbitals filled, two unpaired electrons in the degenerate pi* orbitals confirming paramagnetism, and bond order 2 labeled.
MO diagram for O2 using 2s and 2p atomic orbitals. Show sigma2s, sigma2s*, sigma2p, pi2p (degenerate pair), sigma2p*, pi2p* (degenerate pair), sigma2p* ordered by energy. Fill 16 electrons with arrows. Highlight the two unpaired electrons in pi2p*. Label bond order 2 and paramagnetism. Classic style. White background.
N2 MO diagram with all bonding MOs filled and no unpaired electrons, giving bond order 3 and diamagnetic character.
MO diagram for N2 using 2s and 2p atomic orbitals. Note the pi2p orbitals lie below sigma2p for N2. Fill 10 electrons. Show all bonding MOs full and antibonding MOs empty. Label bond order 3 and diamagnetic character. Classic textbook style. White background.
The simplest MO diagram: two 1s atomic orbitals combine to form a sigma bonding MO (filled) and a sigma* antibonding MO (empty), giving bond order 1.
Simple MO diagram for H2. Show two 1s atomic orbitals on the left and right combining into a sigma1s bonding MO (lower energy, 2 electrons) and sigma1s* antibonding MO (higher energy, empty) in the center. Label bond order 1. Clean introductory style. White background.
F2 MO diagram with 18 electrons filled. Many antibonding orbitals are occupied, resulting in a net bond order of only 1.
MO diagram for F2 using 2s and 2p atomic orbitals. Fill all 18 electrons across bonding and antibonding MOs. Show that many antibonding orbitals are occupied. Calculate and label the net bond order of 1. Colorful style with bonding orbitals in blue and antibonding in red. White background.
A molecular orbital (MO) diagram is an energy-level chart that shows how atomic orbitals from two or more atoms combine to form new molecular orbitals that belong to the whole molecule. Bonding MOs are lower in energy than the original atomic orbitals and hold the molecule together, while antibonding MOs are higher in energy and weaken the bond. Electrons fill the MOs from the bottom up, following the Aufbau principle and Hund's rule. The resulting electron configuration lets you calculate bond order, predict whether a molecule is diamagnetic or paramagnetic, and understand its reactivity. Figviz generates a clean, labeled MO diagram from a plain description, saving you the time of drawing and placing every orbital by hand.
When two atomic orbitals overlap in phase, they form a bonding MO that is lower in energy and concentrates electron density between the nuclei, which holds the atoms together. When they overlap out of phase, they form an antibonding MO (marked with an asterisk, such as sigma*) that is higher in energy and has a node between the nuclei. Bond order is calculated by subtracting the number of electrons in antibonding MOs from the number in bonding MOs, then dividing by two. A bond order of 1 means a single bond, 2 a double bond, and 3 a triple bond. A bond order of zero means the molecule does not form a stable bond. For example, O2 has bond order 2 and two unpaired electrons in its degenerate pi* orbitals, which explains both its double bond and its paramagnetism.
Always state the molecule name and the shell of orbitals to include. For second-period diatomics, deciding whether pi2p sits above or below sigma2p matters: for O2 and F2 the sigma2p is lower, but for N2, C2, and B2 the pi2p levels are lower due to s-p mixing. Provide the total electron count explicitly so the filling is unambiguous. If you want bond order shown, ask for it in the prompt. For teaching diagrams, ask for the energy axis and orbital labels to be clearly visible, and choose 4:3 or 16:9 for slide use.
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