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Structural and electronic properties of MTA

Erkoç, Şakir
The structural and electronic properties of mellitic trianhydride (MTA) have been investigated by performing semiempirical (AM1, PM3, MNDO3) and ab initio molecular orbital self-consistent field calculations. The density of states and the IR spectrum of MTA have been calculated. It has been found that the isolated MTA molecule has a planar structure, and that it is exothermic.