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Dynamic structure of inclusion complexes of monodeoxycalix[4]arene with small organic guests in solution

✍ Scribed by Hajime Iwamoto; Masaki Hirakata; Shuji Usui; Takeharu Haino; Yoshimasa Fukazawa

Publisher: Elsevier Science
Year: 2002
Tongue: French
Weight: 108 KB
Volume: 43
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(01)02062-7

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✦ Synopsis

Structure elucidation of the inclusion complexes of monodeoxycalix[4]arene with small organic guests was carried out by X-ray crystallographic analysis and molecular dynamic simulation. Although the guest moves rapidly in the host cavity, the time averaged structure resembles the one obtained by the X-ray crystallography. Chemical shift simulation succeeded to reproduce the observed complexation induced shift.

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