In: Chemistry
What is the most likely spin multiplicity in the ground electronic state of an alkane, and of a radical such as ·CH3? Explain how you deduce this.
most organic molecules in the ground states are closed shells, and thus, have a multiplicity of one and no charge. Since multiplicity only means the number of ways that an electron can orient itself to a magnetic field, no unpaired electrons means it can only be in one orientation.
In most cases the multiplicity can be set according to the following rules: All electrons in pairs --> singlet (multiplicity = 1) One unpaired electron (free radical) --> doublet (multiplicity = 2) Two unpaired electrons (diradical) --> and unpaired electrons have opposite spin --> singlet (multiplicity = 1) or and unpaired electrons have same spin --> triplet (multiplicity = 3) Multiplicity is the number of degenerate spin eigenfunctions that can be attached to the spatial part of the wavefunction.
First of all, for closed shell molecules--including most of the isolable organic molecules--the multiplicity is 1, hence for CH4 it will be 1 Essentially "closed shell" means that the molecule follows the octet rule. Molecular fragments such as radicals and carbenes may have multiplicity >1. Organic radicals can be assumed to have multiplicity 2 (with very rare exceptions). Carbenes can be either 1 or 3 (singlet or triplet), as can biradicals such as tetramethylene and "trimethylenemethane"
For CH3• the multiplicity will be 2