Peculiarities of the M-Ï interaction in phosphacymantrene derivatives upon the Mn(CO)3 fragment orientation: Experimental and theoretical electron density study

Article ID	Journal	Published Year	Pages	File Type
1409810	Journal of Molecular Structure	2012	11 Pages	PDF

Abstract

âº The results of X-ray and DFT study of phosphacymantrene derivatives are presented. âº The resultant density was analyzed using the quantum theory of atoms in molecules. âº The M-Ï interaction depending on the M(CO)3 fragment orientation is discussed.

Keywords

Electron density distribution Topology Density functional theory X-ray diffraction

Related Topics

Physical Sciences and Engineering Chemistry Organic Chemistry

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Peculiarities of the M-Ï interaction in phosphacymantrene derivatives upon the Mn(CO)3 fragment orientation: Experimental and theoretical electron density study

Authors

Alexander F. Smol'yakov, Fedor M. Dolgushin, Allan G. Ginzburg, Vasily V. Bashilov, Mikhail Yu. Antipin,