[[B]A503-1vn] 09. Coordination Chemistry, Organometallic Chemistry

4:15 PM - 4:25 PM JST(7:15 AM - 7:25 AM UTC)Japanese

[[B]A503-1vn-03] Theoretical study on circular dichroism (CD) spectra of complexes consisting of chiral alcohols and terbium(III) ion.

○Kaho Shibata¹, Shinnosuke Yokoyama², Mitsuki Ota¹, Kohei Tada³, Ryohei Kishi^3,4,5, Chihiro Kachi⁶, Yasutaka Kitagawa^3,4,5,7 (1. Faculty of Engineering Science, Osaka University, 2. Graduate School of Science, Toho University, 3. Graduate School of Engineering Science, Osaka University, 4. RCSEC, Osaka University, 5. ICS-OTRI, Osaka University, 6. Faculty of Science, Toho University, 7. OTRI-Spin, Osaka University)

Keywords:

quantum chemical calusulation,density functional theory (DFT) method,diastereomer,chiral alcohols,circular dichroism (CD) spectra