Hide/Show Apps

Structural and electronic properties of MTA

2001-06-15
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.