Structural basis for the phase switching of bisaminecopper(II) cations at the thermal limits of lattice stability

Inorganic Chemistry

Volumn 45, Issue 13, 2006, Pages 5027-5033

  Naumov, Panče ^a,b,c   Sakurai, Kenji ^a   Asaka, Toru ^a   Belik, Alexei A ^a   Adachi, Shin Ichi ^b,d   Takahashi, Junichi ^b,d   Koshihara, Shin Ya ^b,d,e  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

^d HIGH ENERGY ACCELERATOR RESEARCH ORGANIZATION KEK   (Japan)

^e TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33746523785     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic060110s     Document Type: Article

References (47)

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28. The details of the synthesis were deposited as Supporting Information.
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37. The structures of both low-temperature (A, 293 and 313 K) and high-temperature (B, 319 K) phases were determined in situ, in two independent experiments from different temperature-controlled single crystals. The details were deposited as Supporting Information.
38. 3/4π) A/m]. All of the measurements started from 300 K. The temperature steps were 1 K between 2 and 100 K and 5 K between 105 and 300 K. The heating/cooling rate was 10 K/min between the steps.
39. Beamline NW2 at Photon Factory - Advanced Ring (Tsukuba, Japan), 30 mA, 6.5 GeV, λ = 0.6889 Å, single-bunch mode, bunch duration 100 ps, beam size 0.26 x 0.60 mm (the details of the beamline are explained in: Mori, T.; Nomura, M.; Adachi, H.; Uchida, Y.; Toyoshima, A.; Yamamoto, S.; Tsuchiya, K.; Shioya, T.; Kawata, 8th Int. Conf. Synchr. Rad. Instrum., Am. Inst. Phys. Conf. Proc. 2003, 705, 255). The data were collected on a three-circle diffractometer equipped with a CCD detector (Rigaku/MSC Mercury), by ω scans in horizontal geometry, with steps of 2° and an exposure time of 5 s. The crystal samples used were of dimensions 100-200 μm at each side. Careful temperature control and good crystal quality proved to be crucial for the preservation of the crystal integrity during the phase transition. The crystal was cooled by a helium flow of an open-type cryostat, and the temperature was corrected for differences between the sensor and the sample position measured independently.
40. The powder diffraction patterns are deposited as Supporting Information (Figure S1). Probably because of the applied pressure, significant changes in the diffraction pattern were observed immediately after the powdering using a mortar and pestle (the grain size was not controlled). Hence, prior to the measurement, all powdered samples were aged for 1 day in the dark at ambient temperature. The patterns were recorded in the 5-60° region of 2θ, with steps of 0.02° (0.002° in the case of the photoirradiation experiments) and an exposure time of 5 s, with germanium-monochromatized Cu Ka radiation (40 kV, 50 mA), using an M03XHF MAC Science diffractometer.
41. max = 365 nm, SP-7 with internal heat filter, Ushio) in a laboratory-built cryostat for powder photodiffraction with Kapton windows for X-ray and replaceable optics for light irradiation (Figure S3 in the Supporting Information). The heat-filtered UV light was focused by fused-silica biconvex UV lenses through UV-transparent quartz windows. The sample was exposed, in quasi-perpendicular geometry, to single flashes with a duration of 0.1 or 1 s.
42. The average peak shift of 0.04° is comparable with values reported for excited/ground state mixtures of paddlewheel binuclear platinum anions with long-lived excited states: (a) Ikagawa, T.; Okamura, T.; Otsuka, T.; Kaizu, Y. Chem. Lett. 1997, 829.
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44. For example, upon excitation with polychromatic light (365 nm), the relative intensities of the reflections (101), (110), (112), (201), (222), (1 10), and (202) are changed as +133, -67, +10, -82, -41, -64, and -10%, respectively (SR data).
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46. Naumov, P.; Belik, A. A.; Nukui, A.; Tanaka, M.; Sakurai, K. Chem. Mater., submitted for publication.
47. The temperature profiles of the cell parameters in single crystalline and powder states (Figure 3B,C) show an additional anomaly around 120 K. Because the process does not have its counterpart in the magnetic susceptibility and heat capacity results, it probably corresponds to the onset of the first-order high-temperature transition A ↔ B, which is a strongly asymmetric and gradual process, extending into a quasi-continuum on the low-temperature side.