Research

Seeking for New Molecular Architectures

Working in the field of “Physical Organic Chemistry”, we wish to find new connections between physics and chemistry in the language of molecules. With design and synthesis of molecules as our firm bases, we explore interdisciplinary fields such as nanoscience and materials science. Please have a look at our molecules.

新しい分子の姿を求め

「物理有機化学」が私たちの研究分野です．ここで「分子のことば」で物理と化学のつながりを探求しています．分子の設計・合成を基盤に，ナノ科学や材料科学との境界領域分野を開拓しようとしているものです．では，まずは私たちの分子をお楽しみください．

The group started the journey on May 1, 2007.

Selected Molecules

“What can we learn about nanocarbons/carbonaceous materials from aromatic molecules?” 
This is one typical question that we tackle with our molecules that mimic structures of nanocarbons. Our molecules give discrete structures and shapes to nanocarbons that are intrinsically produced as chemical species (a mixture) by physical methods. The chemistry of aromatic molecules dates back centuries to Faraday’s distillation and Kekulé’s dream and has played an important role to form fundamental bases of our modern chemistry. “Nanocarbon molecules” are novel “aromatic molecules” that possess intriguing features such as curved π-systems and beautiful symmetry. Their chemistry is also rooted in classic aromatic chemistry but is clarifying new features that is of interest in relevant fields like materials science and molecular physics.

「ナノカーボン」「カーボン材料」について「芳香族分子」から理解できることはなんだろう．
これは，私たちが独自の「ナノカーボン分子」で探っている問いの一つです．物理的には「化学種（混合物）」として製造されているナノカーボンに，私たちの分子は明確な構造と形を与えようとしています．基盤をなす芳香族分子化学は，ファラデーによるベンゼンの発見，ケクレのベンゼン構造提唱にまで遡る有機化学の中心を担ってきたものです．新しい「ナノカーボン分子」は，立体的で曲がった構造などの新奇性と高い対称性という美しさを兼ね備えた「新しい芳香族分子」として，材料科学や分子物性において興味深い物性・特性を解き明かしはじめています．

Methodologies/Tools/Materials

In our works, we develop novel methodologies and provide tools/materials for nanocarbon-related science.

私たちの研究では，新しい方法論を開拓し，汎用可能な道具/材料を提供しています．

• Chiral resolution of nanocarbon molecules/"Pt+B" macrocyclization [https://doi.org/10.1038/ncomms1505]
• Chromatography for boronic esters [https://doi.org/10.1246/cl.2012.972]
• Length index for carbon nanotubes [https://doi.org/10.1515/pac-2014-5006]
• Base materials for single-layer OLEDs [https://doi.org/10.1039/C5SC03807C]
• High-capacity molecular negative electrode materials for LIB [https://doi.org/10.1002/smll.201600916]
• Structural mathematics for cyclostereoisomerism [https://doi.org/10.1073/pnas.1606530113]
• Aligning m and µ: A novel molecular design for CPL emitters [https://doi.org/10.1073/pnas.1717524114]
• Defect locations on carbon nanotubes [https://doi.org/10.1038/s41467-020-15662-6]
• "Phenine design" of nanocarbon molecules [https://doi.org/10.2183/pjab.98.020]
• Curved phenine normal vector (+POAV mappings) [https://doi.org/10.1002/asia.202000271]
• Defining "molecular curvature” [https://doi.org/10.1002/anie.202204035]
• "Design-of-Experiments + Machine Learning (DoE+ML)" optimization of reaction conditions [https://doi.org/10.1002/anie.202204035]
• Atlas for nanotube molecules [https://doi.org/10.1038/s42004-022-00777-2]
• Defining stoichiometry in supramolecular equilibrium-1: Akaike's Information Criterion (AIC) [https://doi.org/10.1002/anie.202219059]
• Defining stoichiometry in supramolecular equilibrium-2: van 't Hoff validation [https://doi.org/10.1038/s41467-023-43979-5]
• Defining stoichiometry in supramolecular equilibrium-3: Bayesian inference [https://doi.org/10.1002/anie.202405388]

A History