Exploration of Functionality in Polar Diamond Molecules

2017 Fiscal Year Final Research Report

• Project/Area Number: 16K13833
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Condensed matter physics II
• Research Institution: Tokyo Institute of Technology
• Principal Investigator: Sasagawa Takao 東京工業大学, 科学技術創成研究院, 准教授 (30332597)
• Research Collaborator: NAMIKI Hiromasa ; TANAKA Hiroto
• Project Period (FY): 2016-04-01 – 2018-03-31
• Keywords: ダイヤ分子 / 化学修飾 / 第一原理計算 / 単結晶 / 誘電性

Outline of Final Research Achievements

In order to improve and explore the functionality of diamond molecules (or the so-called diamondoids), a dipole moment was introduced by the chemical substitution of oxygen or halogen (F, Cl, Br, I) for hydrogen. Synthesis of such "polar diamond molecules" containing one and two diamond-cage(s) was successfully performed, which was confirmed by good agreements between the theoretical calculations based on first-principles and the measured infrared spectra of the purified obtained materials. As a result, six kinds of non-commercially available polar diamond molecules were successfully obtained with sufficient yields for the measurements of their physical properties.
We found a dielectric anomaly associated with the freezing of the molecular rotation in the crystal, which showed systematic temperature shift reflecting the size (rotational barrier) of the substituted atom.

Free Research Field

物質科学