BIP! Finder - A 3-fold “Butterfly Valve” in Command of the Encapsulation’s Kinetic Stability. Molecular Baskets at Work

2008 • A 3-fold “Butterfly Valve” in Command of the Encapsulation’s Kinetic Stability. Molecular Baskets at Work

Authors: Bao-Yu, Wang, Xiaoguang, Bao, Zhiqing, Yan, Veselin, Maslak, Christopher M, Hadad, Jovica D, Badjić

Venue: Journal of the American Chemical Society

Type: Publication

Abstract: Molecular basket 1, composed of a semirigid tris-norbornadiene framework and three revolving pyridine-based gates at the rim, has been built to "dynamically" enclose space and as such regulate molecular encapsulation. The gates were shown to fold via intramolecular hydrogen bonding and thereby form a G(3v) symmetrical receptor: the (1)H NMR resonance for the amide N-H protons of the pyridine gates appeared downfield (delta = 10.98 ppm), and the N-H vibrational stretch (IR) was observed at 3176 cm(-1). Accordingly, density functional theory (DFT... (read more)

Topics: Crystallography Stereochemistry Computational chemistry

DOI: 10.1021/ja8041977

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