Semiempirical investigation method of silylation reaction mechanism of
polyimides photoresist for multilevel–interconnect VLSI technology
Nickolay. G. Savinski
(

)
Laboratory of Molecular Electronics, Institute of
Microelectronics and Informatics of RAS, 21 Universitetskaya St., Yaroslavl,
150007 Russia.
The low dielectric constant and ease of processing of polyimide materials have
resulted in the widespread use of those materials for microelectronic
applications, such as passivation coatings, a-particle barriers, and
interlayer dielectrics in the manufacture of integrated curcuits. Increasing
number of research works was devoted to developing photosensitive polyamides
for they can eliminate a number of processing steps, required for patterning
of usual polyimide films by using of usual photoresist materials.
Developed method polyheterocyclisation of polyamicasids in the presence of the
donors of thereemethylsilyl group entirely integrated with technology the
fabrications of integrated circuits.
Semiempirical quantum mechanics methods appear to be reliable tools for the
calculation of the parameters involved in the evaluation of reactivity
Polyamic Acids (PAC) with silylation agents. The semiempirical method PM3 was
used to determine molecular geometry, charge distribution and the molecular
orbital energies, the transition state of reactions PAC with series of
silylation agents and to determine the relationship between reactivity and
molecular parameters.
Semiempirical calculations were produced by original parameters employment of
the program PM3, based on the restricted Hartree-Fock (RHF) method. Initial
geometries were obtained with molecular mechanics by means of the force fields
MM+. The results of three optimizations were employed as impact data for the
semiempirical calculations.