本数据集“烷基稀土化合物合成工艺数据集”主要面向化学科学领域的合成与纯度表征等研究，包含三类稀土烷基化合物（三（2-N,N-二甲基胺基苄基）钐、三（2-N,N-二甲基胺基苄基）钇、三（2-N,N-二甲基胺基苄基）镧）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），包括每个烷基稀土化合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。烷基稀土化合物的表征通过核磁共振氢谱实现，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，确定烷基稀土化合物的结构特征。基于核磁共振谱图中烷基稀土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），确定烷基稀土化合物的纯度（＞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干燥后的氘代苯溶解；随后加入约10 μL乙基苯作为内标，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烷基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，以已知纯度的乙基苯为标准物质，采用核磁定量方法计算烷基稀土化合物的纯度，结果为大于98%。
", "ds_quality": "", "ds_acq_start_time": null, "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": 4232146, "ds_files_count": 0, "ds_format": "*.pdf", "ds_space_res": "", "ds_time_res": "", "ds_coordinate": "无", "ds_projection": "", "ds_thumbnail": "6da7920f-4686-42b4-b307-45dcd416c3be.png", "ds_thumb_from": 2, "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": "2026-05-19 17:41:01", "last_updated": "2026-05-19 17:41:01", "protected": false, "protected_to": null, "lang": "zh", "cstr": "", "i18n": { "en": { "title": "Rare Earth Alkyl Compounds Synthesis Process Dataset", "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 benzene; Subsequently, about 10 μ L of ethylbenzene 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": "The \"Alkyl Rare Earth Compound Synthesis Process Dataset\" is mainly aimed at the research of synthesis and purity characterization in the field of chemical science, including the development and characterization of synthesis processes for three types of rare earth alkyl compounds (tris (2-N, N-dimethylaminobenzyl) samarium, tris (2-N, N-dimethylaminobenzyl) yttrium, and tris (2-N, N-dimethylaminobenzyl) lanthanum). This dataset system integrates the raw collected data (production process, characterization results) generated during the research construction process, including the research and development process reports of each alkyl rare earth compound and third-party detection CMA reports, providing complete data support for researchers to carry out experimental reproduction, result verification, and performance optimization. The characterization of alkyl rare earth compounds is achieved through nuclear magnetic resonance hydrogen spectroscopy, which provides key information including chemical shifts, coupling constants, and integral values. By analyzing the nuclear magnetic spectrum, determine the structural characteristics of alkyl rare earth compounds. Based on the proportional relationship between the integrated area of characteristic signals of alkyl rare earth compounds in nuclear magnetic resonance spectra and the corresponding proton numbers that produce resonance peaks, the purity of alkyl rare earth 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 alkyl compounds in nuclear magnetic resonance spectra and the corresponding proton number of resonance peaks, using ethylbenzene with known purity as the standard substance, the purity of alkyl rare earth 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", "烷基", "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" }