Isolation and X-ray crystal structures of triarylphosphine radical cations

Journal of the American Chemical Society

Volumn 135, Issue 9, 2013, Pages 3414-3417

  Pan, Xiaobo ^a   Chen, Xiaoyu ^a   Li, Tao ^a   Li, Yizhi ^a   Wang, Xinping ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

P CHARACTERS; PYRAMIDAL GEOMETRIES; RADICAL CATIONS; SINGLE CRYSTAL X-RAY DIFFRACTION; SINGLY OCCUPIED MOLECULAR ORBITALS; THEORETICAL CALCULATIONS; UV-VIS ABSORPTION SPECTROSCOPY; X RAY CRYSTAL STRUCTURES;

MAGNETIC RESONANCE; MOLECULAR ORBITALS; PARAMAGNETISM; ULTRAVIOLET SPECTROSCOPY; X RAY DIFFRACTION;

POSITIVE IONS;

CATION; PHOSPHINE DERIVATIVE;

ABSORPTION SPECTROSCOPY; ARTICLE; CRYSTAL STRUCTURE; ELECTRON SPIN RESONANCE; GEOMETRY; X RAY DIFFRACTION;

CATIONS; CRYSTALLOGRAPHY, X-RAY; FREE RADICALS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOSPHINES; QUANTUM THEORY;

EID: 84874855599     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4012113     Document Type: Article

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50. -, and neutral 1 are listed in Table S1 in the SI. CCDC 921459-921463 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif.
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52. •+ [∠C-P-C = 118.9, Σ(∠C-P-C) = 356.7 ] was obtained upon optimization at the UHF/6-31G(d) level by Boeré and co-workers.(8a)