High-Throughput Computation of ab initio Raman Spectra for Two-Dimensional Materials.

Raman spectra play an important role in characterizing two-dimensional materials, as they provide a direct link between the atomic structure and the spectral features. In this work, we present an automatic computational workflow for Raman spectra using all-electron density functional perturbation theory. Utilizing this workflow, we have successfully completed the Raman spectra calculation for 3504 different two-dimensional materials, with the resultant data saved in a data repository.

A model study for the concise construction of the oxapentacyclic core of cortistatins through intramolecular Diels-Alder and oxidative dearomatization-cyclization reactions.

A unified strategy towards the facile construction of the [6.7.6.

Diversity-oriented synthesis of fused pyran gamma-lactones via an efficient Pd-thiourea-catalyzed alkoxycarbonylative annulation.

We reported herein a diversity-oriented synthesis of a range of fused pyran-gamma-lactones that was effected through a versatile Pd-thiourea complex-catalyzed intramolecular alkoxycarbonylative annulation.

Total synthesis of crisamicin A.

Stereoselective total synthesis of natural product crisamicin A (1) was accomplished for the first time via the Pd/TMTU-catalyzed alkoxycarbonylative annulation to generate a unique cis-pyran-fused lactone, an intermolecular Diels-Alder reaction to construct the pyranonaphthoquinone unit, and a novel Pd-thiourea pincer complex-catalyzed homocoupling of functionalized naphthoquinones.