Charge-Transfer Chemistry of 1,2,5-Chalcogenadiazoles and Related Compounds Towards Smart Molecular Materials3

本项目致力于1,2,5-硫代二唑（chalcogen = S, Se, Te）及其相关化合物向智能分子材料的电荷转移化学的综合实验和理论基础研究。新的1,2,5-硫代二唑，包括碳氢化合物和碳氟化合物系列的融合衍生物，将从理论上设计、合成和结构和功能上表征为各种智能材料的潜在组成部分，包括用于现代光技术（光和电致发光）和生物成像的荧光材料，包括具有近红外发射的金属配位化合物；有机电子学、光伏和自旋电子学中的电荷转移和供体-受体配合物及自由基-阴离子盐以及用于检测阴离子和阳离子的化学传感器。为了实现目标官能团，将特别利用1,2,5-硫代二唑的路易斯亲性和正电子亲和性。该项目的所有关键方面已经取得了具有科学新颖性、独创性和意义的积极初步结果，以及德国和俄罗斯合作小组在该领域的长期成功联合工作，证明了该项目的现实性。

The project is devoted to comprehensive experimental and theoretical fundamental research of charge-transfer chemistry of 1,2,5-chalcogenadiazoles (chalcogen = S, Se, Te) and related compounds towards smart molecular materials. New 1,2,5-chalcogenadiazoles including fused derivatives in the hydrocarbon and fluorocarbon series will be theoretically designed, synthesized and structurally and functionally characterized as potential building blocks of various smart materials covering fluorescent materials for modern light technologies (photo- and electroluminescence) and bioimaging, including metal coordination compounds possessing near infrared emission; charge-transfer and donor-acceptor complexes and radical-anion salts for organic electronics, photovoltaics and spintronics; and chemical sensors for anions and cations. To achieve the target functionalities, Lewis ambiphilicity and positive electron affinity of 1,2,5-chalcogenadiazoles will be particularly used. The realistic character of the project is proved by positive preliminary results featuring scientific novelty, originality and significance already obtained for all key points of the project, as well as by the long-term successful joint work of the German and Russian partner groups in the field.