Theoretical study of many-body effects in Hem protein -from a viewpoint of snchrotron radiation spectroscopy -

2017 Fiscal Year Final Research Report

• Project/Area Number: 25400335
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Condensed matter physics I
• Research Institution: Nara Institute of Science and Technology (2014-2017); Institute of Physical and Chemical Research (2013)
• Principal Investigator: TAGUCHI Munetaka 奈良先端科学技術大学院大学, 物質創成科学研究科, 特任助教 (10415218)
• Project Period (FY): 2013-04-01 – 2018-03-31
• Keywords: 金属タンパク質 / 多体効果

Outline of Final Research Achievements

The main purpose of this study was focusing on the many-body effect of iron Hem and discussing electronic states of the hem protein from a viewpoint of solid states physics. In this research, we first constructed a porphyrin cluster model. Next, we succeeded in computing x-ray core-level spectra of resonance soft X-ray emission spectroscopy, X-ray photoelectron spectroscopy and X-ray absorption spectroscopy based on the theoretical model. Last year that was the final year was planned to compare with the experimental spectrum, but the experimental progress was delayed. Therefore a direct comparison between experimental spectrum and theoretical calculation became impossible. Therefore, we changed the original plane. We examined how the electronic state changes as a function of the physical parameters.

We have also studied chromium oxide NaCr2O4 which has almost the same state as heme iron electronic state. This result was published in Physical Review B in January 2018.

Free Research Field

光物性理論