Premium
Structural Examination of Supramolecular Architectures by Electrospray Ionization Mass Spectrometry
Author(s) -
Schalley Christoph A.,
Rivera José M.,
Martín Tomás,
Santamaría Javier,
Siuzdak Gary,
Rebek Julius
Publication year - 1999
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/(sici)1099-0690(199906)1999:6<1325::aid-ejoc1325>3.0.co;2-6
Subject(s) - chemistry , supramolecular chemistry , fragmentation (computing) , mass spectrometry , electrospray ionization , ion , ionization , analytical chemistry (journal) , molecule , chromatography , organic chemistry , computer science , operating system
Reversibly self‐assembling host–guest complexes of the softball type are characterized by electrospray ionization mass spectrometry. Quaternary ammonium ions serve simultaneously as guests and ion labels. Isotope pattern analysis, inclusion of labeled guests, heterodimer experiments, size and shape dependence, and collision‐induced fragmentation reveal that the capsular structure of these hydrogen‐bonded complexes is retained in the gas phase with the guests inside their cavity. The results parallel findings from solution‐phase NMR experiments and show that the guests are encapsulated inside the cavity. These results also demonstrate the value of mass spectrometry for high‐order structural examination of supramolecular architecture.