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An Element-Substitu...
An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence
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- Shoji, Y. (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.
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- Ikabata, Y. (författare)
- Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan.
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- Ryzhii, I. (författare)
- Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan.
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- Ayub, Rabia (författare)
- Uppsala universitet,Molekylär biomimetik,Institutionen för kemi - BMC
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- El Bakouri, Ouissam (författare)
- Uppsala universitet,Syntetisk molekylär kemi
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Sato, T. (författare)
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- Wang, Q. (författare)
- Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan.
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- Miura, T. (författare)
- Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan.
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- Karunathilaka, B. S. B. (författare)
- Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan.
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- Tsuchiya, Y. (författare)
- Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan.
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- Adachi, C. (författare)
- 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.
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- Ottosson, H. (författare)
- Uppsala Univ, Dept Chem, Angstrcm Lab, S-75120 Uppsala, Sweden.
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- Nakai, H. (författare)
- Waseda Univ, Waseda Res Inst Sci & Engn, Tokyo 1698555, Japan.;Waseda Univ, Sch Adv Sci & Engn, Dept Chem & Biochem, Tokyo 1698555, Japan.
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- Ikoma, T. (författare)
- Niigata Univ, Grad Sch Sci & Technol, Nishi Ku, 2-8050 Ikarashi, Niigata 9502181, Japan.
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- Fukushima, T. (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.
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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)
- 2021-07-09
- 2021
- Engelska.
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Ingår i: Angewandte Chemie International Edition. - : John Wiley and Sons Inc. - 1433-7851 .- 1521-3773. ; 60:40, s. 21817-21823
- Relaterad länk:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Nyckelord
- 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
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Shoji, Y.
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Ikabata, Y.
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Ryzhii, I.
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Ayub, Rabia
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El Bakouri, Ouis ...
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Sato, T.
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Wang, Q.
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Miura, T.
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Karunathilaka, B ...
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Tsuchiya, Y.
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Adachi, C.
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Ottosson, H.
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Nakai, H.
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Ikoma, T.
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Fukushima, T.
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