Journal of Synchrotron Radiation最新文献

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Scattered high-energy synchrotron radiation at the KARA visible-light diagnostic beamline. KARA 可见光诊断光束线的散射高能同步辐射。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-05-01 Epub Date: 2024-03-26 DOI: 10.1107/S1600577524001905
David R Batchelor, Edmund Blomley, Erhard Huttel, Michael Hagelstein, Akira Mochihashi, Marcel Schuh, Rolf Simon
{"title":"Scattered high-energy synchrotron radiation at the KARA visible-light diagnostic beamline.","authors":"David R Batchelor, Edmund Blomley, Erhard Huttel, Michael Hagelstein, Akira Mochihashi, Marcel Schuh, Rolf Simon","doi":"10.1107/S1600577524001905","DOIUrl":"10.1107/S1600577524001905","url":null,"abstract":"<p><p>To characterize an electron beam, visible synchrotron light is often used and dedicated beamlines at synchrotron sources are becoming a more common feature as instruments and methods for the diagnostics are, along with the accelerators, further developed. At KARA (Karlsruhe Research Accelerator), such a beamline exists and is based on a typical infrared/visible-light configuration. From experience at such beamlines no significant radiation was expected (dose rates larger than 0.5 µSv h<sup>-1</sup>). This was found not to be the case and a higher dose was measured which fortunately could be shielded to an acceptable level with 0.3 mm of aluminium foil or 2.0 mm of Pyrex glass. The presence of this radiation led to further investigation by both experiment and calculation. A custom setup using a silicon drift detector for energy-dispersive spectroscopy (Ketek GmbH) and attenuation experiments showed the radiation to be predominantly copper K-shell fluorescence and is confirmed by calculation. The measurement of secondary radiation from scattering of synchrotron and other radiation, and its calculation, is important for radiation protection, and, although a lot of experience exists and methods for radiation protection are well established, changes in machine, beamlines and experiments mean a constant appraisal is needed.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11075722/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140295030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A closer look at high-energy X-ray-induced bubble formation during soft tissue imaging. 近距离观察软组织成像过程中高能 X 射线诱发的气泡形成。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-05-01 Epub Date: 2024-04-26 DOI: 10.1107/S160057752400290X
R Patrick Xian, Joseph Brunet, Yuze Huang, Willi L Wagner, Peter D Lee, Paul Tafforeau, Claire L Walsh
{"title":"A closer look at high-energy X-ray-induced bubble formation during soft tissue imaging.","authors":"R Patrick Xian, Joseph Brunet, Yuze Huang, Willi L Wagner, Peter D Lee, Paul Tafforeau, Claire L Walsh","doi":"10.1107/S160057752400290X","DOIUrl":"10.1107/S160057752400290X","url":null,"abstract":"<p><p>Improving the scalability of tissue imaging throughput with bright, coherent X-rays requires identifying and mitigating artifacts resulting from the interactions between X-rays and matter. At synchrotron sources, long-term imaging of soft tissues in solution can result in gas bubble formation or cavitation, which dramatically compromises image quality and integrity of the samples. By combining in-line phase-contrast imaging with gas chromatography in real time, we were able to track the onset and evolution of high-energy X-ray-induced gas bubbles in ethanol-embedded soft tissue samples for tens of minutes (two to three times the typical scan times). We demonstrate quantitatively that vacuum degassing of the sample during preparation can significantly delay bubble formation, offering up to a twofold improvement in dose tolerance, depending on the tissue type. However, once nucleated, bubble growth is faster in degassed than undegassed samples, indicating their distinct metastable states at bubble onset. Gas chromatography analysis shows increased solvent vaporization concurrent with bubble formation, yet the quantities of dissolved gasses remain unchanged. By coupling features extracted from the radiographs with computational analysis of bubble characteristics, we uncover dose-controlled kinetics and nucleation site-specific growth. These hallmark signatures provide quantitative constraints on the driving mechanisms of bubble formation and growth. Overall, the observations highlight bubble formation as a critical yet often overlooked hurdle in upscaling X-ray imaging for biological tissues and soft materials and we offer an empirical foundation for their understanding and imaging protocol optimization. More importantly, our approaches establish a top-down scheme to decipher the complex, multiscale radiation-matter interactions in these applications.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11075704/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140855625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Infrared spectroscopy across scales in length and time at BESSY II. 在 BESSY II 进行跨长度和时间尺度的红外光谱分析。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-05-01 Epub Date: 2024-04-23 DOI: 10.1107/S1600577524002753
Alexander Veber, Ljiljana Puskar, Janina Kneipp, Ulrich Schade
{"title":"Infrared spectroscopy across scales in length and time at BESSY II.","authors":"Alexander Veber, Ljiljana Puskar, Janina Kneipp, Ulrich Schade","doi":"10.1107/S1600577524002753","DOIUrl":"10.1107/S1600577524002753","url":null,"abstract":"<p><p>The infrared beamline at BESSY II storage ring was upgraded recently to extend the capabilities of infrared microscopy. The endstations available at the beamline are now facilitating improved characterization of molecules and materials at different length scales and time resolutions. Here, the current outline of the beamline is reported and an overview of the endstations available is given. In particular, the first results obtained by using a new microscope for nano-spectroscopy that was implemented are presented. The capabilities of the scattering-type near-field optical microscope (s-SNOM) are demonstrated by investigating cellulose microfibrils, representing nanoscopic objects of a hierarchical structure. It is shown that the s-SNOM coupled to the beamline allows imaging to be performed with a spatial resolution of less than 30 nm and infrared spectra to be collected from an effective volume of less than 30 nm × 30 nm × 12 nm. Potential steps for further optimization of the beamline performance are discussed.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11075711/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140870050","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Angle-resolved X-ray emission spectroscopy facility realized by an innovative spectrometer rotation mechanism at SPring-8 BL07LSU. 在 SPring-8 BL07LSU 上通过创新的光谱仪旋转机制实现了角度分辨 X 射线发射光谱设施。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-01 DOI: 10.1107/S1600577523010391
Jun Miyawaki, Yuka Kosegawa, Yoshihisa Harada
{"title":"Angle-resolved X-ray emission spectroscopy facility realized by an innovative spectrometer rotation mechanism at SPring-8 BL07LSU.","authors":"Jun Miyawaki, Yuka Kosegawa, Yoshihisa Harada","doi":"10.1107/S1600577523010391","DOIUrl":"10.1107/S1600577523010391","url":null,"abstract":"<p><p>The X-ray emission spectrometer at SPring-8 BL07LSU has recently been upgraded with advanced modifications that enable the rotation of the spectrometer with respect to the scattering angle. This major upgrade allows the scattering angle to be flexibly changed within the range of 45-135°, which considerably simplifies the measurement of angle-resolved X-ray emission spectroscopy. To accomplish the rotation system, a sophisticated sample chamber and a highly precise spectrometer rotation mechanism have been developed. The sample chamber has a specially designed combination of three rotary stages that can smoothly move the connection flange along the wide scattering angle without breaking the vacuum. In addition, the spectrometer is rotated by sliding on a flat metal surface, ensuring exceptionally high accuracy in rotation and eliminating the need for any further adjustments during rotation. A control system that integrates the sample chamber and rotation mechanism to automate the measurement of angle-resolved X-ray emission spectroscopy has also been developed. This automation substantially streamlines the process of measuring angle-resolved spectra, making it far easier than ever before. Furthermore, the upgraded X-ray emission spectrometer can now also be utilized in diffraction experiments, providing even greater versatility to our research capabilities.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914175/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139651963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Combination of XEOL, TR-XEOL and HB-T interferometer at the TPS 23A X-ray nanoprobe for exploring quantum materials. TPS 23A X 射线纳米探针的 XEOL、TR-XEOL 和 HB-T 干涉仪组合,用于探索量子材料。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-01-19 DOI: 10.1107/S1600577523010469
Tzu Chi Huang, Shang Wei Ke, Yu Hao Wu, En Rui Wang, Wei Lon Wei, Chien Yu Lee, Bo Yi Chen, Gung Chian Yin, Han Wei Chang, Mau Tsu Tang, Bi Hsuan Lin
{"title":"Combination of XEOL, TR-XEOL and HB-T interferometer at the TPS 23A X-ray nanoprobe for exploring quantum materials.","authors":"Tzu Chi Huang, Shang Wei Ke, Yu Hao Wu, En Rui Wang, Wei Lon Wei, Chien Yu Lee, Bo Yi Chen, Gung Chian Yin, Han Wei Chang, Mau Tsu Tang, Bi Hsuan Lin","doi":"10.1107/S1600577523010469","DOIUrl":"10.1107/S1600577523010469","url":null,"abstract":"<p><p>In this study, a combination of X-ray excited optical luminescence (XEOL), time-resolved XEOL (TR-XEOL) and the Hanbury-Brown and Twiss (HB-T) interferometer at the Taiwan Photon Source (TPS) 23A X-ray nanoprobe beamline for exploring quantum materials is demonstrated. On the basis of the excellent spatial resolution rendered using a nano-focused beam, emission distributions of artificial micro-diamonds can be obtained by XEOL maps, and featured emission peaks of a selected local area can be obtained by XEOL spectra. The hybrid bunch mode of the TPS not only provides a sufficiently high peak power density for experiments at each beamline but also permits high-quality temporal domain (∼200 ns) measurements for investigating luminescence dynamics. From TR-XEOL measurements, the decay lifetime of micro-diamonds is determined to be approximately 16 ns. Furthermore, the XEOL spectra of artificial micro-diamonds can be investigated by the HB-T interferometer to identify properties of single-photon sources. The unprecedented strategy of combining XEOL, TR-XEOL and the HB-T interferometer at the X-ray nanoprobe beamline will open new avenues with significant characterization abilities for unraveling the emission mechanisms of single-photon sources for quantum materials.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914160/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139503149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new modular framework for high-level application development at HEPS. 用于 HEPS 高级应用程序开发的新模块框架。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-01 DOI: 10.1107/S160057752301086X
Xiaohan Lu, Yaliang Zhao, Hongfei Ji, Yi Jiao, Jingyi Li, Nan Li, Cai Meng, Yuemei Peng, Daheng Ji, Yuanyuan Wei, Haisheng Xu, Weimin Pan, Gang Xu
{"title":"A new modular framework for high-level application development at HEPS.","authors":"Xiaohan Lu, Yaliang Zhao, Hongfei Ji, Yi Jiao, Jingyi Li, Nan Li, Cai Meng, Yuemei Peng, Daheng Ji, Yuanyuan Wei, Haisheng Xu, Weimin Pan, Gang Xu","doi":"10.1107/S160057752301086X","DOIUrl":"10.1107/S160057752301086X","url":null,"abstract":"<p><p>As a representative of the fourth-generation light sources, the High Energy Photon Source (HEPS) in Beijing, China, utilizes a multi-bend achromat lattice to obtain an approximately 100 times emittance reduction compared with third-generation light sources. New technologies bring new challenges to operate the storage ring. In order to meet the beam commissioning requirements of HEPS, a new framework for the development of high-level applications (HLAs) has been created. The key part of the new framework is a dual-layer physical module to facilitate the seamless fusion of physical simulation models with the real machine, allowing for fast switching between different simulation models to accommodate the various simulation scenarios. As a framework designed for development of physical applications, all variables are based on physical quantities. This allows physicists to analytically assess measurement parameters and optimize machine parameters in a more intuitive manner. To enhance both extensibility and adaptability, a modular design strategy is utilized, partitioning the entire framework into discrete modules in alignment with the requirements of HLA development. This strategy not only facilitates the independent development of each module but also minimizes inter-module coupling, thereby simplifying the maintenance and expansion of the entire framework. To simplify the development complexity, the design of the new framework is implemented using Python and is called Python-based Accelerator Physics Application Set (Pyapas). Taking advantage of Python's flexibility and robust library support, we are able to develop and iterate quickly, while also allowing for seamless integration with other scientific computing applications. HLAs for both the HEPS linac and booster have been successfully developed. During the beam commissioning process at the linac, Pyapas's ease of use and reliability have significantly reduced the time required for the beam commissioning operators. As a development framework for HLA designed for the new-generation light sources, Pyapas has the versatility to be employed with HEPS, as well as with other comparable light sources, due to its adaptability.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914172/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139651962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DOMAS: a data management software framework for advanced light sources. DOMAS:先进光源的数据管理软件框架。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-01 DOI: 10.1107/S1600577524000043
Hao Hu, Lei Lei, Haofan Wang, Bo Zhuang, Ruojin Zhang, Qi Luo, Xiaokang Sun, Fazhi Qi
{"title":"DOMAS: a data management software framework for advanced light sources.","authors":"Hao Hu, Lei Lei, Haofan Wang, Bo Zhuang, Ruojin Zhang, Qi Luo, Xiaokang Sun, Fazhi Qi","doi":"10.1107/S1600577524000043","DOIUrl":"10.1107/S1600577524000043","url":null,"abstract":"<p><p>In recent years, China's advanced light sources have entered a period of rapid construction and development. As modern X-ray detectors and data acquisition technologies advance, these facilities are expected to generate massive volumes of data annually, presenting significant challenges in data management and utilization. These challenges encompass data storage, metadata handling, data transfer and user data access. In response, the Data Organization Management Access Software (DOMAS) has been designed as a framework to address these issues. DOMAS encapsulates four fundamental modules of data management software, including metadata catalogue, metadata acquisition, data transfer and data service. For light source facilities, building a data management system only requires parameter configuration and minimal code development within DOMAS. This paper firstly discusses the development of advanced light sources in China and the associated demands and challenges in data management, prompting a reconsideration of data management software framework design. It then outlines the architecture of the framework, detailing its components and functions. Lastly, it highlights the application progress and effectiveness of DOMAS when deployed for the High Energy Photon Source (HEPS) and Beijing Synchrotron Radiation Facility (BSRF).</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914162/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139651964","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of structural and reflective characteristics of short-period Mo/B4C multilayer X-ray mirrors. 研究短周期 Mo/B4C 多层 X 射线反射镜的结构和反射特性。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-09 DOI: 10.1107/S1600577524000419
Roman Shaposhnikov, Vladimir Polkovnikov, Sergey Garakhin, Yuliy Vainer, Nikolay Chkhalo, Ruslan Smertin, Kirill Durov, Egor Glushkov, Sergey Yakunin, Mikhail Borisov
{"title":"Investigation of structural and reflective characteristics of short-period Mo/B<sub>4</sub>C multilayer X-ray mirrors.","authors":"Roman Shaposhnikov, Vladimir Polkovnikov, Sergey Garakhin, Yuliy Vainer, Nikolay Chkhalo, Ruslan Smertin, Kirill Durov, Egor Glushkov, Sergey Yakunin, Mikhail Borisov","doi":"10.1107/S1600577524000419","DOIUrl":"10.1107/S1600577524000419","url":null,"abstract":"<p><p>The results of a study of the structural and reflective characteristics of short-period multilayer X-ray mirrors based on Mo/B<sub>4</sub>C at wavelengths 1.54 Å, 9.89 Å and 17.59 Å are presented. The period of the samples varied in the range 8-35 Å. The average widths of the interfaces were ∼3.5 and 2.2 Å at one and the other boundaries, with a tendency for weak growth with any decrease in the period. The interlayer roughness was ∼1 Å. The research results indicate promising prospects for the use of multilayer Mo/B<sub>4</sub>C mirrors for synchrotron applications.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914181/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139713203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ultrashort large-bandwidth X-ray free-electron laser generation with a dielectric-lined waveguide. 利用介质衬里波导产生超短大带宽 X 射线自由电子激光。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-09 DOI: 10.1107/S1600577524000249
Yiwen Liu, Zhen Wang, Lingjun Tu, Chao Feng, Zhentang Zhao
{"title":"Ultrashort large-bandwidth X-ray free-electron laser generation with a dielectric-lined waveguide.","authors":"Yiwen Liu, Zhen Wang, Lingjun Tu, Chao Feng, Zhentang Zhao","doi":"10.1107/S1600577524000249","DOIUrl":"10.1107/S1600577524000249","url":null,"abstract":"<p><p>Large-bandwidth pulses produced by cutting-edge X-ray free-electron lasers (FELs) are of great importance in research fields like material science and biology. In this paper, a new method to generate high-power ultrashort FEL pulses with tunable spectral bandwidth with spectral coherence using a dielectric-lined waveguide without interfering operation of linacs is proposed. By exploiting the passive and dephasingless wakefield at terahertz frequency excited by the beam, stable energy modulation can be achieved in the electron beam and large-bandwidth high-intensity soft X-ray radiation can be generated. Three-dimensional start-to-end simulations have been carried out and the results show that coherent radiation pulses with duration of a few femtoseconds and bandwidths ranging from 1.01% to 2.16% can be achieved by changing the undulator taper profile.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914166/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139713205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The role of carboxylate ligand orbitals in the breathing dynamics of a metal-organic framework by resonant X-ray emission spectroscopy. 通过共振 X 射线发射光谱分析羧酸配体轨道在金属有机框架呼吸动力学中的作用。
IF 2.5 3区 物理与天体物理
Journal of Synchrotron Radiation Pub Date : 2024-03-01 Epub Date: 2024-02-16 DOI: 10.1107/S1600577524000584
Ralph Ugalino, Kosuke Yamazoe, Jun Miyawaki, Hisao Kiuchi, Naoya Kurahashi, Yuka Kosegawa, Yoshihisa Harada
{"title":"The role of carboxylate ligand orbitals in the breathing dynamics of a metal-organic framework by resonant X-ray emission spectroscopy.","authors":"Ralph Ugalino, Kosuke Yamazoe, Jun Miyawaki, Hisao Kiuchi, Naoya Kurahashi, Yuka Kosegawa, Yoshihisa Harada","doi":"10.1107/S1600577524000584","DOIUrl":"10.1107/S1600577524000584","url":null,"abstract":"<p><p>Metal-organic frameworks (MOFs) exhibit structural flexibility induced by temperature and guest adsorption, as demonstrated in the structural breathing transition in certain MOFs between narrow-pore and large-pore phases. Soft modes were suggested to entropically drive such pore breathing through enhanced vibrational dynamics at high temperatures. In this work, oxygen K-edge resonant X-ray emission spectroscopy of the MIL-53(Al) MOF was performed to selectively probe the electronic perturbation accompanying pore breathing dynamics at the ligand carboxylate site for metal-ligand interaction. It was observed that the temperature-induced vibrational dynamics involves switching occupancy between antisymmetric and symmetric configurations of the carboxylate oxygen lone pair orbitals, through which electron density around carboxylate oxygen sites is redistributed and metal-ligand interactions are tuned. In turn, water adsorption involves an additional perturbation of π orbitals not observed in the structural change solely induced by temperature.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10914173/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139742330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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