Abstract
The effects of intermolecular interactions of para-nitrophenyl nitronyl nitroxide (p-NPNN) in the crystal on the γ are investigated. The γ's for two types of configurations, which exist in the β-phase crystal of p-NPNN, are examined by the coupled Hartree-Fock (CHF) calculations of cluster models involving up to tetramers. It is found that the intermolecular interactions in these configurations give different contributions to two large components of the γ.
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