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
|Who||Okuda M, Hiramatsu T, Yasuda M, Ishigaki M, Ozaki Y, Hayashi M, Tominaga K, Chatani E|
|Where||Kobe, Hyogo, Japan|
|What||The 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.)|
・The quantum chemistry method
・The X-ray crystallography study
・The time-dependent density functional theory (TD-DFT)
・The preresonance Raman spectra calculated etc.