TY - JOUR
T1 - Symmetric quaternary phosphonium cation and perchlorate/chlorate anions
T2 - Crystal structure, Database study and Hirshfeld surface analysis
AU - Salmasi, R.
AU - Salimi, A.
AU - Gholizadeh, M.
AU - Rahmani, M.
AU - Garrison, J. C.
PY - 2019/3/5
Y1 - 2019/3/5
N2 - Two new quaternary phosphonium salts of 1,2-ethandiylbis (triphenylphosphonium) Diperchlorate (I), 1,2-ethandiylbis (triphenylphosphonium) Dichlorate (II) were prepared and used for oxidation of different benzylic alcohols to afford their corresponding carbonyl compounds. These new compounds were characterized by IR, NMR spectroscopy and single crystal X-ray analysis. The crystal structure and Hirshfield surface analysis of titled compounds revealed that the change of accompanying anionic moiety can affect the directional interactions of CH⋯O hydrogen bonds between anionic and cationic units which lead to various supramolecular aggregations on the crystal packing. In order to exploring the influence of crystal environment of anionic moieties on the geometry of main symmetric cationic unit, the relative contribution of various close contacts and 2D fingerprint plots of title compounds and twenty three analogous structures retrieved from Cambridge Structural Database (CSD) were investigated through the distortion of tetrahedral coordination geometry of P center of main cationic unit based on τ 4 indices.
AB - Two new quaternary phosphonium salts of 1,2-ethandiylbis (triphenylphosphonium) Diperchlorate (I), 1,2-ethandiylbis (triphenylphosphonium) Dichlorate (II) were prepared and used for oxidation of different benzylic alcohols to afford their corresponding carbonyl compounds. These new compounds were characterized by IR, NMR spectroscopy and single crystal X-ray analysis. The crystal structure and Hirshfield surface analysis of titled compounds revealed that the change of accompanying anionic moiety can affect the directional interactions of CH⋯O hydrogen bonds between anionic and cationic units which lead to various supramolecular aggregations on the crystal packing. In order to exploring the influence of crystal environment of anionic moieties on the geometry of main symmetric cationic unit, the relative contribution of various close contacts and 2D fingerprint plots of title compounds and twenty three analogous structures retrieved from Cambridge Structural Database (CSD) were investigated through the distortion of tetrahedral coordination geometry of P center of main cationic unit based on τ 4 indices.
KW - Accompanying anions
KW - Crystal structure analysis
KW - Hirshfeld surface analysis
KW - Oxidation agent
KW - Quaternary phosphonium salt
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U2 - 10.1016/j.molstruc.2018.11.037
DO - 10.1016/j.molstruc.2018.11.037
M3 - Article
AN - SCOPUS:85059333614
VL - 1179
SP - 549
EP - 557
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -