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 |
| When | Apr. 28 |
| 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.) |
| How | Method ・The quantum chemistry method ・The X-ray crystallography study ・The time-dependent density functional theory (TD-DFT) ・The preresonance Raman spectra calculated etc. |
