The coefficients for the linear combination of atomic orbitals for the two lowest MOs of butadiene (C4H6) are as follows: ΜΟ 4/2 7/1 Normalised Coefficients Atom 1 Atom 2 Atom 3 +0.6015 +0.3717 -0.3717 +0.3717 +0.6015 +0.6015 Atom 4 -0.6015 +0.3717 (i) Predict the coefficients at each atom for the two highest energy л-MOS (3, (ii) Calculate the total л-electron density on atom 1. (iii) Calculate the total л-electron density on atom 3

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Electronic Transitions and Spectroscopy

The term “electronic” connotes electron, and the term “transition” implies transformation. In a molecule, the electrons move from a lower to a higher energy state due to excitation. The two energy states, the ground state and the excited state are the lowest and the highest energy states, respectively. An energy change is observed with this transition, which depicts the various data related to the molecule.

Photoelectron Spectroscopy

Photoelectron spectroscopy (PES) is a part of experimental chemistry. It is a technique used in laboratories that involves projecting intense beams of radiation on a sample element. In response, the element ejects electrons for which the relative energies are measured.