Wave-Mechanical Treatment of the Naphthalene Molecule

The secular equation corresponding to the forty-two canonical structures for naphthalene has been set up and solved rigorously (except for the neglect of certain exchange integrals), the energy value obtained being 2.0400 alpha greater than that corresponding to one of the unexcited structures, in which a is the single exchange integral between adjacent carbon atoms. The equation has also been solved by various simplified procedures, and it has been found that the assumptions made in the earlier treatment of Pauling and Wheland are to a considerable extent justified. The coefficients of the various structures in the wave function for the normal state have been evaluated. It has been found that of the three unexcited structures the symmetrical one makes approximately a 50 percent greater contribution to the wave function than either of the two unsymmetrical structures. Some further discussion of the magnitudes of the coefficients is given.