2024-03-29T01:03:30Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/2117692020-05-21T01:11:56Zcom_10261_48com_10261_5col_10261_301
http://hdl.handle.net/10261/211769
10.1021/ja002340q
392473
Emergent Conformational Preferences of a Self-Assembling Small Molecule: Structure and Dynamics in a Tetrameric Capsule
American Chemical Society
2000
artículo
Hof, Fraser
Nuckolls, Colin
Craig, Stephen L.
Martín, Tomás
rp13146
Rebek, Julius Jr.
Monomers
Molecules
Chemical structure
Encapsulation
Aromatic compounds
2000-10-21
Herein we report the synthesis of a molecule that self-organizes through hydrogen bonds into discrete tetrameric capsular species, encapsulating large polycyclic guest molecules. The unique folded structure of the assembled state is determined by correlation spectroscopy in conjunction with molecular modeling. Pendant methoxyl groups are essential for the assembly process and convey their influence through both electronic pathways and surface interactions. Spin polarization transfer experiments show that the capsule undergoes rapid guest-exchange processes while being itself kinetically stable at elevated temperatures.
Natural Sciences and Engineering Research Council of Canada
National Institutes of Health (US)
Ministerio de Educación y Cultura (España)
Journal of the American Chemical Society 122(44): 10991–10996