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Abstract Two structural factors (sulfonyl vs sulfanyl, 4,5- vs 3,6- position) of phthalonitriles - which are used in several material-related applications - have been comparatively investigated in terms of crystallographic… Click to show full abstract
Abstract Two structural factors (sulfonyl vs sulfanyl, 4,5- vs 3,6- position) of phthalonitriles - which are used in several material-related applications - have been comparatively investigated in terms of crystallographic properties and Hirshfeld surface analyses. The unexpected FT-IR spectra of the sulfonyl-substituted derivatives have been supported by DFT calculations.
Keywords:
surface analyses;
hirshfeld surface;
sulfonyl position;
sulfanyl sulfonyl
Journal Title: Journal of Molecular Structure
Year Published: 2018
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Journal Title: Journal of Molecular Structure
Year Published: 2018
Link to full text (if available)
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recommendations!