How can rotaxanes be modified by varying functional groups at the axle? - A combined theoretical and experimental analysis of thermochemistry and electronic effects

Chemistry - A European Journal

Volumn 14, Issue 4, 2008, Pages 1216-1227

  Spickermann, Christian ^a   Felder, Thorsten ^c,d   Schalley, Christoph A ^b   Kirchner, Barbara ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c UNIVERSITY OF BONN   (Germany)

^d EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Computer chemistry; Density functional calculations; Rotaxanes; Supramolecular chemistry; Thermochemistry

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC DIPOLE MOMENTS; HYDROGEN BONDS; SOLVENTS; SUBSTITUTION REACTIONS; SUPRAMOLECULAR CHEMISTRY; THERMOCHEMISTRY;

COMPUTER CHEMISTRY; ELECTRONIC EFFECTS; FORMATION REACTION; ROTAXANES;

FUNCTIONAL GROUPS;

EID: 38849190751     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200700479     Document Type: Article

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