Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa

Gao, D.*; Tang, X.*; Wang, X.*; Yang, X.*; Zhang, P.*; Che, G.*; Han, J.*; Hattori, Takanori; Wang, Y.*; Dong, X.*; et al.

Physical Chemistry Chemical Physics, 23(35), p.19503 - 19510, 2021/09

https://doi.org/10.1039/D1CP02913D

Pressure-induced phase transition and polymerization of nitrogen-rich molecules are widely focused due to its extreme importance for the development of green high energy density materials. Here, we present a study of the phase transition and chemical reaction of 1H-tetrazole up to 100 GPa by using Raman, IR, X-ray diffraction, neutron diffraction techniques and theoretical calculation. A phase transition above 2.6 GPa was identified and the high-pressure structure was determined with one molecule in a unit cell. The 1H-tetrazole polymerizes reversibly below 100 GPa, probably through a carbon-nitrogen bonding instead of nitrogen-nitrogen bonding. Our studies updated the structure model of the high pressure phase of 1H-tetrazole, and presented the possible intermolecular bonding route for the first time, which gives new insights to understand the phase transition and chemical reaction of nitrogen-rich compounds, and benefit for designing new high energy density materials.

General synthesis of single-atom catalysts for hydrogen evolution reactions and room-temperature Na-S batteries

Lai, W.-H.*; Wang, H.*; Zheng, L.*; Jiang, Q.*; Yan, Z.-C.*; Wang, L.*; Yoshikawa, Hirofumi*; Matsumura, Daiju; Sun, Q.*; Wang, Y.-X.*; et al.

Angewandte Chemie; International Edition, 59(49), p.22171 - 22178, 2020/12

https://doi.org/10.1002/anie.202009400

Distance-selected topochemical dehydro-diels-alder reaction of 1,4-Diphenylbutadiyne toward crystalline graphitic nanoribbons

Zhang, P.*; Tang, X.*; Wang, Y.*; Wang, X.*; Gao, D.*; Li, Y.*; Zheng, H.*; Wang, Y.*; Wang, X.*; Fu, R.*; et al.

Journal of the American Chemical Society, 142(41), p.17662 - 17669, 2020/10

https://doi.org/10.1021/jacs.0c08274

Solid-state topochemical polymerization (SSTP) is a promising method to construct functional crystalline polymeric materials, but in contrast to various reactions that happen in solution, only very limited types of SSTP reactions are reported. Diels-Alder (DA) and dehydro-DA (DDA) reactions are textbook reactions for preparing six-membered rings in solution but are scarcely seen in solid-state synthesis. Here, using multiple cutting-edge techniques, we demonstrate that the solid 1,4-diphenylbutadiyne (DPB) undergoes a DDA reaction under 10-20 GPa with the phenyl as the dienophile. The crystal structure at the critical pressure shows that this reaction is "distance-selected". The distance of 3.2 between the phenyl and the phenylethynyl facilitates the DDA reaction, while the distances for other DDA and 1,4-addition reactions are too large to allow the bonding. The obtained products are crystalline armchair graphitic nanoribbons, and hence our studies open a new route to construct the crystalline carbon materials with atomic-scale control.

First determination of Pu isotopes (Pu, Pu and Pu) in radioactive particles derived from Fukushima Daiichi Nuclear Power Plant accident

Igarashi, Junya*; Zheng, J.*; Zhang, Z.*; Ninomiya, Kazuhiko*; Satou, Yukihiko; Fukuda, Miho*; Ni, Y.*; Aono, Tatsuo*; Shinohara, Atsushi*

Scientific Reports (Internet), 9(1), p.11807_1 - 11807_10, 2019/08

https://doi.org/10.1038/s41598-019-48210-4

Radioactive particles were released into the environment during the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) accident. Many studies have been conducted to elucidate the chemical composition of released radioactive particles in order to understand their formation process. However, whether radioactive particles contain nuclear fuel radionuclides remains to be investigated. Here, we report the first determination of Pu isotopes in radioactive particles. To determine the Pu isotopes (Pu, Pu and Pu) in radioactive particles derived from the FDNPP accident which were free from the influence of global fallout, radiochemical analysis and inductively coupled plasma-mass spectrometry measurements were conducted. Radioactive particles derived from unit 1 and unit 2 or 3 were analyzed. For the radioactive particles derived from unit 1, activities of Pu and Pu were (1.70-7.06)10 Bq and (4.10-8.10)10 Bq, respectively and atom ratios of Pu/Pu and Pu/Pu were 0.330-0.415 and 0.162-0.178, respectively. These ratios were consistent with the simulation results from ORIGEN code and measurements from various environmental samples. In contrast, Pu was not detected in the radioactive particles derived from unit 2 or 3. The difference in Pu contents is clear evidence towards different formation processes of radioactive particles, and detailed formation processes can be investigated from Pu analysis.

Phase transitions and polymerization of CH-CF cocrystal under extreme conditions

Wang, Y.*; Wang, L.*; Zheng, H.*; Li, K.*; Andrzejewski, M.*; Hattori, Takanori; Sano, Asami; Katrusiak, A.*; Meng, Y.*; Liao, F.*; et al.

Journal of Physical Chemistry C, 120(51), p.29510 - 29519, 2016/12

https://doi.org/10.1021/acs.jpcc.6b11245

Pressure-induced polymerization (PIP) of aromatic molecules can generate saturated carbon nanostructures. As a strongly interacted - stacking unit, the CH-CF adduct is widely applied in supramolecular chemistry, and it provides a good preorganization for the PIP. Here we investigated the structural variation of CH-CF cocrystal and the subsequent PIP process under high pressure. Four new molecular-complex phases V, VI, VII, and VIII have been identified and characterized by the in situ Raman, IR, synchrotron X-ray, and neutron diffraction. The phase V is different from the phases observed at low temperature, which has a tilted column structure. Phases VI and VII have a structure similar to phase V. Phase VIII polymerizes irreversibly upon compression above 25 GPa without any catalyst, producing sp(CH/F) materials. The - interaction is still dominant below 0.5 GPa but is most likely to be overstepped under further compression, which is important for discussing the supramolecular phase transition and the polymerization process.

In-beam spectroscopy of the even-even nucleus Pt

Li, G. S.*; Liu, M. L.*; Zhou, X. H.*; Zhang, Y. H.*; Liu, Y. X.*; Zhang, N. T.*; Hua, W.*; Zheng, Y. D.*; Fang, Y. D.*; Guo, S.*; et al.

Physical Review C, 89(5), p.054303_1 - 054303_9, 2014/05

https://doi.org/10.1103/PhysRevC.89.054303

High-spin states of Pt have been reinvestigated using the Yb(O, 4) reaction at a beam energy of 88 MeV. The previously known positive parity band associated with the ( being or ) configuration has been revised and extended significantly. A new negative parity band has been established and proposed to be based on the configuration. Possible structure evolution of the yrast line from predominantly vibrational to rotational with increasing spin is discussed with the help of E over spin curves. Additionally, calculations of Total Routhian surfaces have been performed to investigate the band properties.

Signature inversion in the 7/2[503] band of Pt

Li, G. S.*; Zhou, X. H.*; Zhang, Y. H.*; Zheng, Y.*; Liu, M. L.*; Hua, W.*; Zhou, H. B.*; Ding, B.*; Wang, H. X.*; Lei, X. G.*; et al.

Journal of Physics G; Nuclear and Particle Physics, 38(9), p.095105_1 - 095105_9, 2011/09

https://doi.org/10.1088/0954-3899/38/9/095105

High-spin states in Pt have been investigated by means of in beam -ray spectroscopic method at the JAEA tandem facility. Low-spin signature inversion is revealed in the 7/2[503] band. The inversion can be interpreted as a configuration change from the 7/2[503] orbital to the 7/2[514] orbital with increasing spin, which is supported by a theoretical calculation of the semi-classical Donau and Frauendorf approach.

Evidence for a isomer in neutron-rich Ta

Shizuma, Toshiyuki; Ishii, Tetsuro; Makii, Hiroyuki; Hayakawa, Takehito; Shigematsu, Soichiro*; Matsuda, Makoto; Ideguchi, Eiji*; Zheng, Y.*; Liu, M.*; Morikawa, Tsuneyasu*

European Physical Journal A, 34(1), p.1 - 4, 2007/10

https://doi.org/10.1140/epja/i2007-10484-4

Excited states in neutron-rich Ta have been populated following the one-proton pickup reaction of W(O,F). In-beam rays were measured in coincidence with scattered particles detected by a high-resolution - Si telescope for reaction channel selection. Several low-lying levels including a s isomer at 406 keV have been identified. A spin assignment of and the 1/2[411] Nilsson configuration are given to the isomer in comparison with the level energy systematics and the isomer decay rates in the region.

Multi-quasiparticle excitations in Tb

Zheng, Y.*; Zhou, X. H.*; Zhang, Y. H.*; Hayakawa, Takehito; Oshima, Masumi; Toh, Yosuke; Shizuma, Toshiyuki; Katakura, Junichi; Hatsukawa, Yuichi; Matsuda, Makoto; et al.

Journal of Physics G; Nuclear and Particle Physics, 30(4), p.465 - 479, 2004/04

https://doi.org/10.1088/0954-3899/30/4/006

no abstracts in English

Nuclear structure study of nuclei in the A=180 region using nucleon transfer reactions

Shizuma, Toshiyuki; Ishii, Tetsuro; Makii, Hiroyuki; Matsuda, Makoto; Hayakawa, Takehito; Ideguchi, Eiji*; Liu, M.*; Zheng, Y.*; Morikawa, Tsuneyasu*; Mitarai, Shiro*; et al.

no journal, , 

no abstracts in English