title: Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer.
abstract: Stacking interactions between cyclohexane and benzene were studied in crystal structures from the Cambridge Structural Database and by ab initio calculations. Calculated at the very accurate CCSD(T)/CBS level of theory, the cyclohexane-benzene interaction energy is -3.27 kcal mol-1, which is significantly stronger than the interaction in the benzene dimer (-2.84 kcal mol-1) indicating the importance of aliphatic-aromatic interactions.
authors.affiliation: Innovation Center of Department of Chemistry, Studentski trg 12-16, 11000 Belgrade, Serbia and Department of Chemistry, Texas A&M University at Qatar, P. O. Box 23874, Doha, Qatar.
authors.forename: D B
authors.initials: DB
authors.lastname: Ninković
authors.affiliation: Innovation Center of Department of Chemistry, Studentski trg 12-16, 11000 Belgrade, Serbia.
authors.forename: D Z
authors.initials: DZ
authors.lastname: Vojislavljević-Vasilev
authors.affiliation: Department of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia. szaric@chem.bg.ac.rs.
authors.forename: V B
authors.initials: VB
authors.lastname: Medaković
authors.affiliation: Department of Chemistry, Texas A&M University, College Station, TX 77843-3255, USA.
authors.forename: M B
authors.initials: MB
authors.lastname: Hall
authors.affiliation: Department of Chemistry, Texas A&M University at Qatar, P. O. Box 23874, Doha, Qatar.
authors.forename: E N
authors.initials: EN
authors.lastname: Brothers
authors.affiliation: Department of Chemistry, Texas A&M University at Qatar, P. O. Box 23874, Doha, Qatar and Department of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia. szaric@chem.bg.ac.rs.
authors.forename: S D
authors.initials: SD
authors.lastname: Zarić