Synthesis, structural chemistry, and properties of quasi-binary selenocyanates

准二元硒氰酸酯的合成、结构化学和性质

• 批准号: 460844982
• 负责人: Dr. Frank Tambornino
• 金额: --
• 依托单位: Institut für Allgemeine, Anorganische und Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/460844982?language=en
• 关键词: Synthesis; structural; chemistry; properties; quasi

In the proposed project the formation, structural chemistry, chemical bonding, and chemical and physical properties of quasi-binary cyanates, thiocyanates, and selenocyanates will be investigated with a strong focus on selenocyanates. Main topic of those works are the phase-pure synthesis of the respective new compounds on a multi-gram scale, including new synthetic methodology, as well as their comprehensive structural characterization (single crystal and powder diffractometry) together with group-subgroup relations. Through chemical substitution of the cation, the chemical properties will be deliberately tuned. This will enable us to use the new compounds as starting materials for the related – molecular chemistry oriented – project within the group. Additionally, characterization of the compounds by theoretical (DFT) and experimental (spectroscopic) methods is an important goal.

在拟议的项目中，将研究准二元氰酸酯、硫氰酸酯和硒氰酸酯的形成、结构化学、化学键和化学和物理性质，重点是硒氰酸酯。这些工作的主要主题是在多克尺度上合成相应的新化合物，包括新的合成方法，以及它们的综合结构表征(单晶法和粉末衍射法)以及基团-亚基团关系。通过阳离子的化学取代，化学性质将被有意地调整。这将使我们能够将新化合物用作小组内相关分子化学导向项目的起始材料。此外，通过理论(DFT)和实验(光谱)方法对化合物进行表征是一个重要的目标。