Title of article
Dynamic structure of inclusion complexes of monodeoxycalix[4]arene with small organic guests in solution
Author/Authors
Iwamoto، نويسنده , , Hajime and Hirakata، نويسنده , , Masaki and Usui، نويسنده , , Shuji and Haino، نويسنده , , Takeharu and Fukazawa، نويسنده , , Yoshimasa، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2002
Pages
3
From page
85
To page
87
Abstract
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.
Keywords
Dynamic structure , Molecular dynamics , chemical shift simulation
Journal title
Tetrahedron Letters
Serial Year
2002
Journal title
Tetrahedron Letters
Record number
1649042
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