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双微焦斑单晶X射线衍射仪(Duo microsourced Single-Crystal X-Ray Diffractometer)

仪器编号:

联系方式:13071882787

放置地点:云栖校区 #4-112

开放范围:自主操作:校内;委托测试:校内、校外

自主操作 送样检测

实验室:

职位:

邮箱:

仪器编号 联系方式 13071882787
放置地点 云栖校区 #4-112 开放范围 自主操作:校内;委托测试:校内、校外
自主操作 https://share.westlake.edu.cn/lims/!equipments/equipment/index.455.reserv 送样检测 https://share.westlake.edu.cn/lims/!equipments/equipment/index.455.sample
实验室 职位
邮箱
  • 仪器详细信息 Bacis information of instrument
  • 技术资料 Technical specifications
  • Crystallography details
  • 收费 Charge
  • 样品要求及预约说明 Sample requirement and reservation policies
  • 设备动态 Equipment Status

使用高强度的钻石混合技术的X射线光源,且双光源可自动切换;采用PHOTON III电荷积分像素阵列探测器能覆盖广波长范围的最高检测、没有电荷共享噪音、极低的视差噪音快速有效数据收集且数据质量佳、无计数频率饱和、完全密封、无需干燥净化气体

在化学结晶学领域中准确、快速测定晶体结构,区分和确定晶体的手性及空间结构的目的;可精确地测定小分子无机物、有机/无机化合物、金属配位配合物以及氨基酸、多肽小分子等的晶态物质的结构。

科研支撑:

晶型分析、晶胞参数测定、晶体取向、结构鉴定;

复杂晶体结构测定/解析;

反常散射绝对构型测定;

粉末衍射物相鉴定;

产业支撑:

生物功能材料分析、天然产物及全合成药物结构分析

Basic information:

APEX DUO-source single crystal diffractometers: equipped with Photon III detector, Cu-Diamond/Mo-Diamond X-ray sources and Oxford Cryosystream 800 series low temperature device

Applied in rapid and accurate determination of crystal structures for small molecules, such as inorganics, inorganics and their hybrids, metal or MOFs, especially to differentiate the absolute structures.

Research support:

1)Structure information, unit cell parameters, crystal orientation for Metal organic frameworks (MOFs), COFs, natural products, perovskites.

2)Determination of complicated structures;

3)Determine the absolute structures;

4)Powder diffraction of a single crystal;

Industrial support:

Pharmaceutical, medicine and natural products.

1) Ius DIAMOND Cu(钻石靶)

2) Ius DIAMOND Mo(钻石靶)

3) Kappa四轴测角仪,f360°旋转≤0.02°步长、w/2J步长≤0.002°、角度重现性±0.0001°

4) Photon III电荷积分探测器:10 * 14 cm2


技术资料:双微焦斑X射线衍射仪的标准操作流程

https://iscps.westlake.edu.cn/technique/SOP-Bruker-D8-Venture.pdf


Technical specifications:

1)IμS Diamond Cu anode and IμS Diamond Mo anode;

2)Kappa 4-axis goniometer,φ360°rotation with a maximum step size of 0.02°,ω/2θwith a maximum step size of 0.02°, angular reproducibility of±0.0001°.

3)Photon III charge-integrating detector with effective area of 10 * 14 cm2.


Kindly please visit the link below for SOP of Bruker D8 Venture SC-XRD:

https://iscps.westlake.edu.cn/technique/SOP-Bruker-D8-Venture.pdf


CrystallographicStructure Determination

X-ray diffraction measurement for ?? compounds was collected at 100(2) K, performed on a Bruker D8 Venture diffractometer with PHOTON III detector in shutterless mode with an incoatec microfocus source (Mo-Diamond Kαradiation,λ= 0.71073 Å) and an Oxford 800 Plus liquid nitrogen vapor cooling device. The computing indexing, cell refinement and data reduction on ?? compounds was processed using APEX3 software. Frame integration, including Lorentz-polarization corrections, and final cell-parameter calculations were carried out with SAINT software. The data were corrected for absorption with SADABS program. Structures were solved using direct methods with SHELXT (SHELXT [Sheldrick, G. M. (2008).Acta Cryst.A64, 112-122]),subsequent difference Fourier calculations and full-matrix least-squares refinement againstF2were performed with SHELXL (Sheldrick, G. M. (2008).Acta Cryst.A64, 112-122).[SAINT-Plus; APEX3; SADABS, Bruker-AXS Inc.:Madison, Wisconsin, 2004] All non-hydrogen atoms were refined with anisotropic displacement parameters. Hydrogen atoms were inserted in calculated positions and refined with a riding model. Crystal data, data collection parameters, and structure refinement details are given in Table 1.

Refinement Details. Refinement of F2against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2> 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2arestatistically about twice as large as those based on F, and R- factors based on ALL data will beeven larger.

送样要求:

1.不测试含有毒性、腐蚀性母液样品;

2.要求单晶晶体尺寸大于50微米;

3.请提供样品元素组成;

4.易变质样品需提前与XRD负责人联系,预约测试时间,请注明样品保存条件,如常规、冷冻、干燥、冷藏、避光等

预约说明:

1.该仪器实行24h*7d预约及测试样品;

2.该仪器可提前7-14天预约,最短预约单元为1h;

3.如若取消预约,应至少提前24h联系XRD负责人;

4.长时间数据收集(大于5h)可安排在19-7点间或周末

Sample requirements:

1)Non-toxic, incorrosive samples;

2)Single crystal size 50μm~ 100μm;

3)Specify the elemental composition.

4)Specify the storage condition of samples, like recycle, freezing, dry, lucifuge

Reservation policies:

1-The reservation for all equipment functions 24/7;

2-7-14 days in-advance reservation with minimum reservation slot 1 hour.

3-24hours in advance for cancellation

4-Long-time acquisition (over 5h) is advised to arrange at night or weekends.

2020.03.19 Oxford 800 Plus 低温系统故障,单晶XRD设备暂时只能在室温下进行测试;低温系统的启用时间再行通知。

2020.04.02 Oxford 800 Plus低温系统恢复正常运行,单晶XRD设备的低温测试即日起重新启用。

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