Chem, Eur. J., accepted (2017). DOI: 10.1002/chem.201703220 Three structural isomers of trioxytriphenylamine (TOT) dimers, 4,4”’-bis(2,2′:6′,2″:6″,6-trioxytriphenylamine) (4), 3,3”’-bis(2,2′:6′,2″:6″,6-trioxytriphenylamine) (5), and 3,4”’-bis(2,2′:6′,2″:6″,6-trioxytriphenylamine) (6) were prepared and their electronic and magnetic properties in the di(radical cationic) states were investigated. The X-ray crystal structure analysis demonstrated that the TOT moieties of all the di(radical cation)s have planar structures similar to that of the structure of the parent TOT radical cation 3+. The UV-vis spectrum of the di(radical cation) showed characteristic absorptions depending on the connecting pattern. Thus, in the long wavelength region (600-900 nm), 4-2+ exhibited strong and broad characteristic absorptions, while compounds 5-2+ and 62+ exhibited weak absorptions. Notably, in the 450-600 […]
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The 5th Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2017)
The 5th Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2017) will be held at Awaji Yumebutai International Conference Center, Hyogo on June 18-21, 2017.
Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules
J. Phys. Chem. A 120, pp.6459-6466 (2016). DOI: 10.1021/acs.jpca.6b04932 Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of openshell molecules, based on the addition theorem of […]
Dr. Satoru Yamamoto received the JEOL prize.
Dr. Satoru Yamamoto received the JEOL prize at the 49th Annual International Meeting of the ESR Spectroscopy Group of the Royal Society of Chemistry, University of Essex, Colchester, 3rd April – 7th April 2016.
The 15th International Conference on Molecule-Based Magnets
The 15th International Conference on Molecule-Based Magnets will be held at Sendai International Center, Sendai, Japan on September 4-8, 2016 .
The 4th Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2016)
The 4th Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2016) will be held at Awaji Yumebutai International Conference Center, Hyogo on June 19-22, 2016.
The 3rd WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers
[English] 平成28年3月29-30日に、大阪市立大学で “Quantum Chemistry on Quantum Computers” に関する第3回国際セミナーを開催します。 皆様のご参加をお待ちしております。 International OCU Chemistry/Molecular materials Science Seminar: The 3rd WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers 日時：2016年3月29日（火）、30日（水） 場所：大阪市立大学 大学院理学研究科 海外招待講演者及び講演題目等の詳細はこちら 連絡先：佐藤和信（大阪市大院理 sato@sci.osaka-cu.ac.jp)
Dr. Elham Hosseini was interviewed by OCU.
Dr. Elham Hosseini was interviewed by OCU. The interviw article was posted on OCU Facebook. (Japanese)
The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices, Awaji Yumebutai International Conference Center, Awaji Island, Japan, November 8-11, 2015.
The 3rd Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2015)
The 3rd Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications” (AWEST 2015) will be held at Awaji Yumebutai International Conference Center, Hyogo on June 14-16, 2015.