Abstract
A calculation has been performed for the transition states of the benzene crystal corresponding to two saddle points on the potential surface, in the region responsible for the polymorphic transformation of orthorhombic benzene to a hypothetical monoclinic benzene to monoclinic benzene. One of the transition states of the crystal (TSC) that was calculated is remarkable for its symmetry of the orthorhombic and monoclinic phases. Participating in the creation of the subgroup are elements of the inherent symmetry of the molecule. A study has been made of the behavior of the TSCs, depending on the hydrostatic pressure. A case of nearly indifferent equilibrium has been described, this case being observed in the region of pressures preceding the disappearance of the minimum of the orthorhombic phase. The role of TSCs in processes of polymorphic transformations is discussed.
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