National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [20902035, 21032001]; PCSIRTProgram for Changjiang Scholars & Innovative Research Team in University (PCSIRT) [IRT0953]
机构署名：
本校为第一且通讯机构
院系归属：
化学学院
摘要：
Unsymmetrical phenolic (thio)urea molecules are investigated and compared to evaluate the regioselectivity of the bifurcated hydrogen bonds. The supramolecular aggregation can feature self-sorting homomeric alpha-networks through recognition between N-H center dot center dot center dot O(S) and O-H center dot center dot center dot O intermolecular hydrogen bonds. The regioselectivity of bifurcated hydrogen bond was investigated using single crystal X-ray diffraction studies, DFT calculations and Cambridge Structural Database analysis. The influence of se...
