基于配位化学原理，以二氯二茂钛为核心，以B酸/碱芳香酸衍生物为配体，建立“二茂钛LB双酸/酸碱协同催化剂对群库（简称DQKU）”。借助DQKU模型，以择优选配为原则，以炔酮类物种为前体，以氮杂亲核体为底物，考察茂钛协同催化活化碳碳三键反应，构建五元、六元氮杂环合结构；进一步延伸组合创新策略，融茂钛协同催化与钯催化优势，以形成同类氮杂环化物为目标，以端炔、卤代物、一氧化碳和胺四组分为活化对象，深入羰基化反应、碳碳偶联反应和碳氮键形成反应过程，探究钯钛催化的差异性、兼容性与普适性，关联结构与性能的本构关系，揭示分子间钯钛协同接力催化的机理与机制；在此基础上，以追求更加高效为目的，围绕三嗪母核的结构演化，搭建钯钛分子内两翼两性催化体系，对照同类氮杂环合结构，强化多组分一锅环化反应过程，践行分子内协同接力催化方略，树立“茂金属+协同+联合+接力”催化范式，丰富杂环化学内容，推进多金属催化实际应用。

According to the principle of coordination chemistry, we summarize the precedents of successful organometallic Lewis acid catalysts, and propose the conceptual DQKU library of the binary acid/base ligands. Based on the criterion of DQKU , titanoncene dichloride is activated by the aromatic acid ligands bearing acidic or basic sites as the synergistic catalysts. The formation of heterocyclic compounds are developed from the condensation between ynone and a variety of nitrogen nucleophiles, in which the titanocene catalyzed synergistic activation of carbon carbon triple bond is investigated. Inspired by the synergy effect of Pd/Ti catalysts, titanoncene-palladium cooperative relay catalyst system is proposed for the activation and catalytic transformation of acetylenes, aryl halogens, carbon monoxide and amines. The fusion of palladium catalyzed carbonylation and metallocene catalyzed intermolecular cyclization flourish various synthetic methodology for heterocylic structures, in which the compatibility and the feasibility of the palladium and titanocene are investigated, respectively. Notably, the cascade of carbonylation, C-C cross-coupling and C-N formation will be evaluated carefully. The mechanistic study will focus on the constitutive relation between the structure and performance of relevant cooperative relay catalytic cyclization reactions. The derivation of triazine core is applied for designing bi-wings and bi-funcational catalysts in order to establish intramolecular Pd/Ti relay catalytic cycle. The highly efficient catalytic one-pot multicomponent condensation for the synthesis nitrogen heterocyclics set up the new paradigm for “Metallocene +Cooperative+Collaborative+ Relay” catalyzed cyclization.