1 3 5 Hexatriene Mo Diagram
1 2 5 3 6 4 1 each of the mos is a linear combination of 6 pz orbitals cµ 1 µ c2 6 cµ ψµ cµ p z i cµ 3 i µ i 1 c4.
1 3 5 hexatriene mo diagram. Lebel each of the molecular orbitals as bonding and anti bonding. In molecules with extended pi systems the homo lumo energy gap becomes so small that absorption occurs in the visible rather then the uv region of the electromagnetic spectrum. 6 π molecular orbitals of hexatriene five nodes four nodes three nodes two nodes one node zero nodes 6 ao s 6 mo s six p orbitals 6 conjugation. As in the previous examples use the aufbau principle hund s rule and the pauli exclusion principle to determine the ground state electron configuration.
Note all lobes for each carbon bonding interactions the number of nodes in the mo where wave function changes and classify lumo homo. ψ 1 ψ 2 and ψ 3 are bonding molecular orbitals and are occupied in the ground state with ψ 3 being the highest occupied molecular orbital homo. Cyclic conjugated organic compounds such as benzene that exhibit special stability due to resonance delocalization of π electrons. The orbitals are arranged in the following table in order of increasing energy.
Chad explains how to draw the bonding and antibonding pi molecular orbitals for 1 3 5 hexatriene identifying both the homo and lumo. ψ 4 ψ 5 and ψ 6 are antibonding molecular orbitals and are unoccupied in the ground state with ψ 4 being the lowest unoccupied molecular orbital lumo. Fill in the electrons in the mo diagram. The absorbance due to the π π transition in 1 3 5 hexatriene for example occurs at 258 nm corresponding to a δ e of 111 kcal mol.
Molecular orbital energy level diagram of 1 3 5 7 octatetraene. Draw a huckel mo diagram for 1 3 5 hexatriene showing the number of nodes in each mo and show the homo lumo transition. Mos of 1 3 5 hexatriene new resizable window. I 1 where ei are the mo eigenvalues determined in the third step.
To illustrate how we apply hückel in practice let s work out the energy of benzene as an example. Show the m o diagram of 1 3 5 hexatriene.