本数据集“稀土硼氢化合物生产工艺研发过程数据集”主要面向化学科学领域的合成与纯度表征等研究，包含一类稀土硼氢化物（N,N-二甲基乙二胺基桥联双芳氧基硼氢化钇）的合成工艺开发和表征。该数据集系统整合了研究构建过程中所产生的原始采集数据（生产工艺、表征结果），包括该稀土硼氢化物的研发过程报告和第三方检测CMA报告，为科研人员开展实验复现、结果验证、性能优化提供了完整的数据支撑。稀土硼氢化合物核磁共振氢谱进行了表征，提供的关键信息包括化学位移、耦合常数、积分值。通过对于核磁谱图的解析，确定稀土硼氢化合物的结构特征。基于核磁共振谱图中稀土硼氢化合物的特征信号的积分面积与对应产生共振峰的质子数之间的正比关系，利用已知纯度的标准物质（内标物），确定稀土硼氢化合物的纯度（＞98%）。
", "ds_source": "核磁共振数据的采集过程如下：在手套箱环境中，向J-Young核磁管中加入定量样品，并用约0.6 mL干燥后的氘代四氢呋喃溶解；随后加入约10 μL均三甲苯作为内标，采用Bruker AV Neo 600型液态超导核磁共振谱仪，在常温条件下对样品进行¹H NMR表征，平行测试两次，原始谱图数据通过MestReNova软件进行还原与处理。
", "ds_process_way": "核磁共振数据采用MestReNova软件进行解析，对“.mnova”格式的原始谱图文件进行处理。通过谱图拟合与峰归属分析，确定目标化合物的结构。基于核磁共振谱图中稀土硼氢化合物的特征信号积分面积与对应共振峰质子数之间的正比关系，以已知纯度的均三甲苯为标准物质，采用核磁定量方法计算稀土硼氢化合物的纯度，结果为大于98%。
", "ds_quality": "", "ds_acq_start_time": "2025-01-01 00:00:00", "ds_acq_end_time": null, "ds_acq_place": "", "ds_acq_lon_east": null, "ds_acq_lat_south": null, "ds_acq_lon_west": null, "ds_acq_lat_north": null, "ds_acq_alt_low": null, "ds_acq_alt_high": null, "ds_share_type": "apply-access", "ds_total_size": 2251182, "ds_files_count": 0, "ds_format": "*.pdf", "ds_space_res": "", "ds_time_res": "", "ds_coordinate": "无", "ds_projection": "", "ds_thumbnail": "f498d78e-a72f-416b-b81c-e581e0e0858c.png", "ds_thumb_from": 0, "ds_ref_way": "", "paper_ref_way": "", "ds_ref_instruction": "", "ds_from_station": "", "organization_id": "af683ce0-400b-4f2f-9242-f45f0621e11a", "ds_serv_man": "李红星", "ds_serv_phone": "0931-4967592", "ds_serv_mail": "ncdc@lzb.ac.cn", "doi_value": "", "subject_codes": [ "410" ], "quality_level": 0, "publish_time": "2026-05-20 14:47:38", "last_updated": "2026-05-20 16:09:07", "protected": false, "protected_to": null, "lang": "zh", "cstr": "", "i18n": { "en": { "title": "Dataset of R&D process for rare earth borohydride production technology", "ds_format": "*.pdf", "ds_source": "The process of collecting nuclear magnetic resonance data is as follows: in a glove box environment, add a quantitative sample to a J-Young nuclear magnetic tube and dissolve it in approximately 0.6 mL of dried deuterated tetrahydrofuran; Subsequently, about 10 μ L of trimethylbenzene was added as an internal standard, and the sample was characterized by ¹ H NMR at room temperature using a Bruker AV Neo 600 liquid superconducting nuclear magnetic resonance spectrometer. Two parallel tests were conducted, and the original spectral data was reduced and processed using MestReNova software.
", "ds_quality": "", "ds_ref_way": "", "ds_abstract": "This dataset \"Research and Development Process Dataset for Rare Earth Borohydride Production Technology\" is mainly aimed at the synthesis and purity characterization research in the field of chemical science, including the development and characterization of a type of rare earth borohydride (N, N-dimethylethylenediamine bridged biaryloxyborohydride yttrium) synthesis process. This dataset system integrates the raw collected data (production process, characterization results) generated during the research construction process, including the research and development process report of the rare earth borohydride and the third-party detection CMA report, providing complete data support for researchers to carry out experimental reproduction, result verification, and performance optimization. The nuclear magnetic resonance hydrogen spectrum of rare earth borohydride compounds was characterized, providing key information including chemical shifts, coupling constants, and integral values. By analyzing the nuclear magnetic spectrum, determine the structural characteristics of rare earth borohydride compounds. Based on the proportional relationship between the integrated area of the characteristic signals of rare earth borohydride compounds in nuclear magnetic resonance spectra and the corresponding proton numbers that produce resonance peaks, the purity of rare earth borohydride compounds (>98%) is determined using a standard substance (internal standard) with known purity.
", "ds_time_res": "", "ds_acq_place": "", "ds_space_res": "", "ds_projection": "", "ds_process_way": "The nuclear magnetic resonance data was analyzed using MestReNova software, and the original spectrum files in \". nova\" format were processed. Determine the structure of the target compound through spectral fitting and peak assignment analysis. Based on the proportional relationship between the integrated area of characteristic signals of rare earth borohydride compounds in nuclear magnetic resonance spectra and the corresponding proton number of resonance peaks, using known purity of toluene as the standard substance, the purity of rare earth borohydride compounds was calculated using nuclear magnetic quantification method, and the result was greater than 98%.
", "ds_ref_instruction": "" } }, "submit_center_id": "ncdc", "data_level": 0, "recommendation_value": 0, "license_type": "https://creativecommons.org/licenses/by/4.0/", "doi_reg_from": "reg_local", "cstr_reg_from": "reg_local", "doi_not_reg_reason": null, "cstr_not_reg_reason": null, "is_paper_in_submitting": false, "ds_topic_tags": [ "稀土", "硼氢化合物", "核磁" ], "ds_subject_tags": [ "工程与技术科学基础学科" ], "ds_class_tags": [], "ds_locus_tags": [], "ds_time_tags": [], "ds_contributors": [ { "true_name": "姚英明", "email": "yaoym@suda.edu.cn", "work_for": "苏州大学", "country": "中国" }, { "true_name": "袁丹", "email": "yuandan@suda.edu.cn", "work_for": "苏州大学", "country": "中国" } ], "ds_meta_authors": [ { "true_name": "余钢", "email": "18355650030@163.com", "work_for": "苏州大学", "country": "中国" } ], "ds_managers": [ { "true_name": "袁丹", "email": "yuandan@suda.edu.cn", "work_for": "苏州大学", "country": "中国" } ], "category": "其他" }