| 摘要 |
PROBLEM TO BE SOLVED: To obtain a method in which the ferromagnetism of an organic polymer compound can be estimated by finding the LMIN value of the organic polymer compound formed in such a way that units in which non start-set carbon and star-set carbon for molecules of an alternate hydrocarbon structure are bonded are connected multidimensionally. SOLUTION: A condition under which an organic polymer compound displays magnetism is that it has many orbits of radicals not participating its bonding operation, i.e., many nonbonding orbits (NBMO's) containing one electron and that the direction of electron spins contained in the NBMO's is identical so as to exist stably. In order to find the chemical structure rule of the organic polymer compound which satisfies them simultaneously, and in order to estimate the intensity of a magnetic field, a system in which each one of electrons is put into two NBMO's is taken into consideration. The energy difference between a triplet state that the two electron spins are in the same direction so as to comprise magnetism and a singlet state that the two electron spins are in the opposite direction so as not to comprise magnetism is found. The larger an LMIN value which is obtained as a result is, the triplet state becomes stable, and a possibility that the organic polymer compound comprises the ferromagnetism of the organic polymer compound is high. The ferromagnetism can be estimated on the basis of it. |
