Data for: Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization

We report the synthesis of O- and N-chelated hexacoordinated molybdenum imido alkylidene N-heterocyclic carbene (NHC) bistriflate and pentacoordinated molybdenum imido alkylidene NHC monotriflate monoalkoxide complexes and their use as thermally latent and in some cases air-stable precatalysts in the ring-opening metathesis polymerization (ROMP) of dicyclopentadiene (DCPD). Introduction of electron- withdrawing and electron-donating groups at the O-chelated alkylidene ligand allowed for the tuning of both the onset temperature of polymerization (Tonset) and the temperature of the exotherm maximum (Texo,max). In addition, N-chelated complexes were synthesized using easily available 2-vinylpyridine or 2-vinyl- N,N-dimethylaniline to yield five-membered and, for the first time, four-membered molybdenum imido alkylidene NHC chelates. With these precatalysts, Tonset and Texo,max could be varied between 52 and 142 °C and between 99 and 174 °C, respectively. All primary data files and processed data of the journal article from the Buchmeiser group. Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization. Nuclear magnetic resonance (NMR) spectra are uploaded. Also differential scanning calorimetry (DSC) data are available.

本报告揭示了六配位钼亚胺基烷基乙烯基N-杂环卡宾(NHC)双三氟甲磺酸盐和五配位钼亚胺基烷基乙烯基NHC单三氟甲磺酸盐单醇盐复合物的合成，以及它们在双环戊二烯(DCPD)开环易位聚合(ROMP)中作为热隐性和某些情况下空气稳定的预催化剂的应用。通过在O-配位的烷基乙烯基配体引入吸电子基团和给电子基团，实现了聚合反应起始温度(Tonset)和放热峰最大温度(Texo,max)的调节。此外，采用易于获得的2-乙烯吡啶或2-乙烯-N,N-二甲基苯胺合成了N-配位复合物，从而首次获得了五元乃至四元钼亚胺基烷基乙烯基NHC螯合物。借助这些预催化剂，Tonset和Texo,max可在52至142°C和99至174°C之间进行调节。所有原始数据文件以及Buchmeiser小组的期刊文章处理数据均予以提供。本工作旨在调节钼亚胺基烷基乙烯基N-杂环卡宾复合物在双环戊二烯聚合中的潜伏行为。同时，已上传核磁共振(NMR)光谱数据，并提供了差示扫描量热法(DSC)数据。