Cyclodextrins Papers 2020. Apr. 28.

Theoretical Modeling for Electronic Structure of Polyiodide Species Included in α-Cyclodextrin.

J Phys Chem B. 2020 Apr 28;:

Authors: Okuda M, Hiramatsu T, Yasuda M, Ishigaki M, Ozaki Y, Hayashi M, Tominaga K, Chatani E

DOI: 10.1021/acs.jpcb.0c01749

WhoOkuda M, Hiramatsu T, Yasuda M, Ishigaki M, Ozaki Y, Hayashi M, Tominaga K, Chatani E
WhenApr. 28
WhereKobe, Hyogo, Japan
WhatThe molecular mechanism of blue color formation in an iodine–starch reaction : employing the iodine−α-cyclodextrin (α-CD) complex
*that I5 acts as a basic unit of coloration in the visible region.
Why(the well-known observation that the color of the iodine–starch reaction becomes bluish with an increase in the chain length of amylose.)
HowMethod
・The quantum chemistry method
・The X-ray crystallography study
・The time-dependent density functional theory (TD-DFT)
・The preresonance Raman spectra calculated etc.

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