本数据集基于核磁共振波谱、元素分析、手性液相色谱技术开展的高纯手性稀土有机配合物试剂纯度分析的研究过程，主要针对现有的分析方法不满足高纯手性稀土有机配合物试剂纯度分析的需求，开展相关的分析方法研究，建立8类20种高纯手性稀土有机配合物试剂的化学纯度和光学纯度的分析方法，实现化学纯度>98%，光学纯度>99% ee。满足科研领域对高端稀土试剂的检测需要，支撑稀土战略资源在科研试剂领域的高值化、多功能化应用。
", "ds_source": "本数据集数据源为高纯手性稀土有机配合物试剂的分析检测数据，核心检测仪器为核磁共振波谱仪、元素分析仪、手性液相色谱仪。以8类20种高纯手性稀土有机配合物试剂为分析对象，具体包括手性吡啶双噁唑啉-三氟甲磺酸镧、手性吡啶双噁唑啉-三氟甲磺酸铈、手性吡啶双噁唑啉-三氟甲磺酸钇、手性吡啶双噁唑啉-三氟甲磺酸钪、手性吡啶双咪唑啉-三氟甲磺酸镧、手性吡啶双咪唑啉-三氟甲磺酸铈、手性吡啶双咪唑啉-三氟甲磺酸钐、手性吡啶双咪唑啉-三氟甲磺酸钇、手性吡啶双咪唑啉-三氟甲磺酸钪、手性席夫碱-三氟甲磺酸镥、手性席夫碱-三氟甲磺酸钇、手性环己二胺Salen-硝酸镧、手性环己二胺Salen-硝酸铈、手性酚骨架的双脯氨酸酯-三氟甲磺酸钐、手性酚骨架的双脯氨酸酯-三氟甲磺酸钇、手性联萘二氧基磷酸镱、手性联萘二氧基磷酸钪、手性邻羟基苯基噁唑啉铕、手性邻羟基苯基噁唑啉铽和手性邻菲啰啉噁唑啉-氯化镧。分析数据涵盖核磁1H、13C或19F谱、高分辨质谱、光学纯度（ee值）、比旋光度、元素分析。
", "ds_process_way": "本数据集采用行业内广泛认可的有机化合物及金属有机配合物测试方法。基于核磁共振波谱技术，采用Bruker AV Neo 400M液态超导核磁共振谱仪，在合适的氘代试剂中对待测化合物进行1H、13C或19F谱的测试，采用MestReNova进行数据处理，根据波谱峰的化学位移判断化学结构；基于定量核磁共振波谱技（qNMR）术，采用Bruker AV Neo 600M液态超导核磁共振谱仪在合适的氘代试剂中对待测化合物进行测试，采用已知纯度的有证标准物质为内标物，计算待测化合物的试剂纯度，确保量值溯源性。基于元素分析法，采用德国Elementar Vario EL Cube元素分析仪对其样品进行锻烧，测定待测化合物中碳、氢、氮的含量，采用已知碳、氢、氮含量的5种化合物有证标准物质校正检测结果，确保分析结果的准确性和量值溯源性。基于配体解离实验，利用Agilent Technologies 1260 Infinity 手性液相色谱测定手性配合物的配体光学纯度，进而鉴定配合物的光学纯度。
", "ds_quality": "本资源来源于手性稀土有机配合物试剂结构鉴定和纯度分析方法的研究过程。依据JJF1855-2020 《纯度标准物质定值计量技术规范 有机物纯度标准物质等标准规范》的要求进行手性HPLC测试。通过自测与具有CMA资质的第三方测试，来保证数据的质量。核磁共振谱图在北京师范大学、北京大学、北京化工大学采集，元素分析在北京大学、北京化工大学采集，手性HPLC数据在中国计量科学研究院和北京化工大学采集，并相互验证。
", "ds_acq_start_time": "2022-11-01 00:00:00", "ds_acq_end_time": "2025-12-31 00:00:00", "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": 14011340, "ds_files_count": 0, "ds_format": "word", "ds_space_res": "", "ds_time_res": "", "ds_coordinate": "无", "ds_projection": "", "ds_thumbnail": "a416c9dc-025b-4646-9c3d-c72e0c4bb523.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": "2026-05-21 11:50:12", "last_updated": "2026-05-21 11:51:30", "protected": false, "protected_to": null, "lang": "zh", "cstr": "", "i18n": { "en": { "title": "Analytical Data for 8 categories and 20 highly pure chiral organic ligand—rare-earth complexes", "ds_format": "word", "ds_source": "The data source of this dataset is the analysis and detection data of high-purity chiral rare earth organic complex reagents. The core detection instruments are nuclear magnetic resonance spectrometer, element analyzer, and chiral liquid chromatography. Eight types of 20 high-purity chiral rare earth organic complex reagents were used as the analysis objects, including chiral pyridine bis (oxazoline) - trifluoromethanesulfonate lanthanum, chiral pyridine bis (oxazoline) - trifluoromethanesulfonate cerium, chiral pyridine bis (oxazoline) - trifluoromethanesulfonate yttrium, chiral pyridine bis (oxazoline) - trifluoromethanesulfonate scandium, chiral pyridine bis (imidazoline) - trifluoromethanesulfonate lanthanum, chiral pyridine bis (imidazoline) - trifluoromethanesulfonate cerium, chiral pyridine bis (imidazoline) - trifluoromethanesulfonate samarium, chiral pyridine bis (imidazoline) - trifluoromethanesulfonate yttrium, chiral pyridine bis (imidazoline) - trifluoromethanesulfonate scandium, chiral Schiff base - trifluoromethanesulfonate lutetium, chiral Schiff base - trifluoromethanesulfonate yttrium, chiral cyclohexanedicarboxylate Amine Salen lanthanum nitrate, chiral cyclohexanediamine Salen- Cerium nitrate, samarium trifluoromethanesulfonate with double proline ester of chiral phenolic skeleton, yttrium trifluoromethanesulfonate with double proline ester of chiral phenolic skeleton, ytterbium triphosphate with double naphthalene dioxy, scandium triphosphate with double naphthalene dioxy, europium ortho hydroxyphenyl oxazoline, terbium ortho hydroxyphenyl oxazoline, and lanthanum chloride ortho phenanthroline oxazoline. The analysis data includes NMR 1H, 13C or 19F spectra, high-resolution mass spectrometry, optical purity (ee value), specific rotation, and elemental analysis.
", "ds_quality": "This resource comes from the research process of structural identification and purity analysis methods for chiral rare earth organic complex reagents. Perform chiral HPLC testing in accordance with the requirements of JJF1855-2020 \"Technical Specification for Quantitative Measurement of Purity Standard Substances - Organic Purity Standard Substances and Other Standard Specifications\". To ensure the quality of data through self testing and third-party testing with CMA qualifications. The nuclear magnetic resonance spectra were collected from Beijing Normal University, Peking University, and Beijing University of Chemical Technology. Elemental analysis was collected from Peking University and Beijing University of Chemical Technology. Chiral HPLC data were collected from the Chinese Academy of Metrology and Beijing University of Chemical Technology, and mutually verified.
", "ds_ref_way": "", "ds_abstract": "This dataset is based on the research process of high-purity chiral rare earth organic complex reagent purity analysis using nuclear magnetic resonance spectroscopy, elemental analysis, and chiral liquid chromatography techniques. It mainly focuses on the existing analysis methods that do not meet the requirements of high-purity chiral rare earth organic complex reagent purity analysis. Relevant analysis method research is carried out to establish analysis methods for the chemical purity and optical purity of 20 types of high-purity chiral rare earth organic complex reagents, achieving chemical purity>98% and optical purity>99% ee. It meets the detection needs of high-end rare earth reagents in the scientific research field and supports the high-value and multifunctional application of rare earth strategic resources in the field of scientific research reagents.
", "ds_time_res": "", "ds_acq_place": "", "ds_space_res": "", "ds_projection": "", "ds_process_way": "This dataset adopts widely recognized testing methods for organic compounds and metal organic complexes in the industry. Based on nuclear magnetic resonance spectroscopy technology, Bruker AV Neo 400M liquid superconducting nuclear magnetic resonance spectrometer was used to test the 1H, 13C or 19F spectra of the test compound in suitable deuterated reagents. MestReNova was used for data processing, and the chemical structure was determined based on the chemical shift of the spectral peaks; Based on quantitative nuclear magnetic resonance spectroscopy (qNMR), the Bruker AV Neo 600M liquid superconducting nuclear magnetic resonance spectrometer was used to test the test compound in a suitable deuterated reagent. A certified standard substance with known purity was used as the internal standard to calculate the reagent purity of the test compound and ensure traceability of the measurement value. Based on elemental analysis, the sample was calcined using a German Elementar Vario EL Cube elemental analyzer to determine the content of carbon, hydrogen, and nitrogen in the tested compound. Five certified standard substances with known carbon, hydrogen, and nitrogen contents were used to calibrate the test results, ensuring the accuracy and traceability of the analysis results. Based on ligand dissociation experiments, the optical purity of chiral complexes was determined using Agilent Technologies 1260 Infinity chiral liquid chromatography to identify the optical purity of the complexes.
", "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": [ "高纯手性稀土有机配合物", "分析测试方法" ], "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": "许家喜", "email": "jxxu@buct.edu.cn", "work_for": "北京化工大学", "country": "中国" }, { "true_name": "杨占会", "email": "zhyang@buct.edu.cn", "work_for": "北京化工大学", "country": "中国" } ], "ds_meta_authors": [ { "true_name": "杨占会", "email": "zhyang@buct.edu.cn", "work_for": "北京化工大学", "country": "中国" } ], "ds_managers": [ { "true_name": "杨占会", "email": "zhyang@buct.edu.cn", "work_for": "北京化工大学", "country": "中国" } ], "category": "其他" }