title: Isolation and X-ray crystal structures of triarylphosphine radical cations.
abstract: Salts containing triarylphosphine radical cations 1(•+) and 2(•+) have been isolated and characterized by electron paramagnetic resonance (EPR) and UV-vis absorption spectroscopy as well as single-crystal X-ray diffraction. Radical 1(•+) exhibits a relaxed pyramidal geometry, while radical 2(•+) becomes fully planar. EPR studies and theoretical calculations showed that the introduction of bulky aryl groups leads to enhanced p character of the singly occupied molecular orbital, and the radicals become less pyramidalized or fully flattened.
authors: State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.
authors: Xiaobo
authors: X
authors: Pan
authors: Xiaoyu
authors: X
authors: Chen
authors: Tao
authors: T
authors: Li
authors: Yizhi
authors: Y
authors: Li
authors: Xinping
authors: X
authors: Wang
mesh_terms: D002412:Cations / Q000138:chemical synthesis / Q000737:chemistry / Q000302:isolation & purification; D018360:Crystallography, X-Ray; D005609:Free Radicals / Q000138:chemical synthesis / Q000737:chemistry / Q000302:isolation & purification; D008958:Models, Molecular; D015394:Molecular Structure; D010720:Phosphines / Q000138:chemical synthesis / Q000737:chemistry / Q000302:isolation & purification*; D011789:Quantum Theory
chemical_list: D002412:Cations; D005609:Free Radicals; D010720:Phosphines