title: Can CH⋅⋅⋅π interactions be used to design single-chain magnets?
abstract: This theoretical study suggests that CH⋅⋅⋅π stacking interactions between monomeric units can be used to design novel single-chain magnets (SCMs), as the sign of coupling is predictable and such chains inherently yield negative axial anisotropy, a condition often difficult to achieve in conventional SCMs.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra 400076 (India), Fax: (+91) 22-2576-7152.
authors.forename: Mukesh Kumar
authors.initials: MK
authors.lastname: Singh
authors.forename: Gopalan
authors.initials: G
authors.lastname: Rajaraman
keywords: density functional calculations; magnetic properties; pi interactions; single-chain magnets; stacking interactions