Abstract
High pressure reduces the zwitterionic mesomeric contribution and increases the thione contribution in 2-benzimidazole-2-thione. These mesomeric changes are manifested in the shortened bond S–C and elongated bond C–N in the S–C–N moiety. These transformations are consistent with the le Chatelier law, as they counteract the increase of electrostatic interactions when the intermolecular distances between electronegative sulfur atoms and arene π-electrons are compressed. The changing interactions affect the crystal strain and its structural transformations. Consequently, the crystal compression and thermal expansion initially, until about 1.0 GPa, are inconsistent with the inverse relationship rule of pressure and temperature effects. Some anomalous features of the thermal expansion can be associated with isostructural transformations of the crystal.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
