Theoretical Study of Electronic Structure, Formation Mechanism and Intramolecular Sulfoxide Imidation Reactivity of Iron Phthalocyanine Nitrene Complex

Yuan, BB; Song, JS; Yan, XY; Xiao, H; Li, CS

Song, JS; Li, CS (corresponding author), Chinese Acad Sci, State Key Lab Struct Chem, Fujian Inst Res Struct Matter, Fuzhou 350002, Peoples R China.; Li, CS (corresponding author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.; Li, CS (corresponding author), Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Peoples R China.

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021; 40 (4): 415

Abstract

Density functional theory (DFT) calculations are performed to investigate recent experimentally studied ring-closing sulfoxide imidation catalyzed by ......

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