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Sökning: WFRF:(Miura H) > (2020-2024) > An Element-Substitu...

  • Shoji, Y.Tokyo Inst Technol, Inst Innovat Res, Lab Chem & Life Sci, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268503, Japan.;Tokyo Inst Technol, Dept Chem Sci & Engn, Sch Mat & Chem Technol, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268502, Japan. (författare)

An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence

  • Artikel/kapitelEngelska2021

Förlag, utgivningsår, omfång ...

  • 2021-07-09
  • John Wiley and Sons Inc,2021
  • printrdacarrier

Nummerbeteckningar

  • LIBRIS-ID:oai:DiVA.org:ri-57298
  • https://urn.kb.se/resolve?urn=urn:nbn:se:ri:diva-57298URI
  • https://doi.org/10.1002/anie.202106490DOI
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-469872URI

Kompletterande språkuppgifter

  • Språk:engelska
  • Sammanfattning på:engelska

Ingår i deldatabas

Klassifikation

  • Ämneskategori:ref swepub-contenttype
  • Ämneskategori:art swepub-publicationtype

Anmärkningar

  • Funding details: Japan Society for the Promotion of Science, KAKEN, JP20H05868, JP20H05869; Funding details: Ministry of Education, Culture, Sports, Science and Technology, Monbusho, JP19K22165, JP20H02722; Funding details: Vetenskapsrådet, VR, 2019–05618; Funding details: Tokyo Institute of Technology, TITECH; Funding details: National Institutes of Natural Sciences, NINS; Funding details: National Supercomputer Centre, Linköpings Universitet, NSC, 2016‐07213; Funding text 1: This work was supported by a Grant‐in‐Aid for Transformative Research Areas (A) “Condensed Conjugation” (JSPS KAKENHI Grant Numbers JP20H05868 for T.F. and JP20H05869 for Y.S.) from MEXT, JSPS KAKENHI (Grant Numbers JP19K22165 and JP20H02722 for Y.S.), the Research Program of “Five‐star Alliance” in “NJRC Mater. & Dev.”, and the Swedish Research Council (Grant Number 2019–05618 for H.O.). We thank Materials Analysis Division, Open Facility Center, Tokyo Institute of Technology, for their support with the NMR measurements. Some of the present calculations were performed at the Research Center for Computational Science (RCCS), Okazaki Research Facilities, and National Institutes of Natural Sciences (NINS), while other calculations were performed by resources provided by the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputer Center (NSC) in Linköping, Sweden, partially funded by the Swedish Research Council through grant number 2016‐07213.; Funding text 2: This work was supported by a Grant-in-Aid for Transformative Research Areas (A) ?Condensed Conjugation? (JSPS KAKENHI Grant Numbers JP20H05868 for T.F. and JP20H05869 for Y.S.) from MEXT, JSPS KAKENHI (Grant Numbers JP19K22165 and JP20H02722 for Y.S.), the Research Program of ?Five-star Alliance? in ?NJRC Mater. & Dev.?, and the Swedish Research Council (Grant Number 2019?05618 for H.O.). We thank Materials Analysis Division, Open Facility Center, Tokyo Institute of Technology, for their support with the NMR measurements. Some of the present calculations were performed at the Research Center for Computational Science (RCCS), Okazaki Research Facilities, and National Institutes of Natural Sciences (NINS), while other calculations were performed by resources provided by the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputer Center (NSC) in Link?ping, Sweden, partially funded by the Swedish Research Council through grant number 2016-07213.
  • 1,3,2,4-Diazadiboretidine, an isoelectronic heteroanalogue of cyclobutadiene, is an interesting chemical species in terms of comparison with the carbon system, whereas its properties have never been investigated experimentally. According to Baird's rule, Hückel antiaromatic cyclobutadiene acquires aromaticity in the lowest triplet state. Here we report experimental and theoretical studies on the ground- and excited-state antiaromaticity/aromaticity as well as the photophysical properties of an isolable 1,3,2,4-diazadiboretidine derivative. The crystal structure of the diazadiboretidine derivative revealed that the B2N2 ring adopts a planar rhombic geometry in the ground state. Yet, theoretical calculations showed that the B2N2 ring turns to a square geometry with a nonaromatic character in the lowest triplet state. Notably, the diazadiboretidine derivative has the lowest singlet and triplet states lying at close energy levels and displays blue phosphorescence.

Ämnesord och genrebeteckningar

  • NATURVETENSKAP Kemi Organisk kemi hsv//swe
  • NATURAL SCIENCES Chemical Sciences Organic Chemistry hsv//eng
  • aromaticity
  • DFT calculations
  • luminescence
  • main-group elements
  • reaction mechanisms
  • Butadiene
  • Crystal structure
  • Ground state
  • Phosphorescence
  • Blue phosphorescences
  • Chemical species
  • Cyclobutadienes
  • Photophysical properties
  • Rhombic geometry
  • Singlet and triplet state
  • Theoretical calculations
  • Theoretical study
  • Excited states
  • article
  • density functional theory
  • geometry
  • human experiment
  • practice guideline
  • reaction analysis

Biuppslag (personer, institutioner, konferenser, titlar ...)

  • Ikabata, Y.Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan. (författare)
  • Ryzhii, I.Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan. (författare)
  • Ayub, RabiaUppsala universitet,Molekylär biomimetik,Institutionen för kemi - BMC(Swepub:uu)rabay185 (författare)
  • El Bakouri, OuissamUppsala universitet,Syntetisk molekylär kemi(Swepub:uu)ouiel148 (författare)
  • Sato, T. (författare)
  • Wang, Q.Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan. (författare)
  • Miura, T.Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan. (författare)
  • Karunathilaka, B. S. B.Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan. (författare)
  • Tsuchiya, Y.Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan. (författare)
  • Adachi, C.Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan.;Kyushu Univ, Int Inst Carbon Neutral Energy Res WPI I2CNER, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan. (författare)
  • Ottosson, H.Uppsala Univ, Dept Chem, Angstrcm Lab, S-75120 Uppsala, Sweden. (författare)
  • Nakai, H.Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan.;Waseda Univ, Sch Adv Sci & Engn, Dept Chem & Biochem, Tokyo 1698555, Japan. (författare)
  • Ikoma, T.Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan. (författare)
  • Fukushima, T.Tokyo Inst Technol, Inst Innovat Res, Lab Chem & Life Sci, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268503, Japan.;Tokyo Inst Technol, Dept Chem Sci & Engn, Sch Mat & Chem Technol, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268502, Japan. (författare)
  • Tokyo Inst Technol, Inst Innovat Res, Lab Chem & Life Sci, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268503, Japan.;Tokyo Inst Technol, Dept Chem Sci & Engn, Sch Mat & Chem Technol, Midori Ku, 4259 Nagatsuta, Yokohama, Kanagawa 2268502, Japan.Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan. (creator_code:org_t)

Sammanhörande titlar

  • Ingår i:Angewandte Chemie International Edition: John Wiley and Sons Inc60:40, s. 21817-218231433-78511521-3773

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