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Synthesis, Characterization, and Computational Study of WSF 4 ·NC 5 H 5
Author(s) -
Nieboer Jared,
Yu Xin,
Chaudhary Praveen,
Mercier Hélène P. A.,
Gerken Michael
Publication year - 2012
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201100453
Subject(s) - adduct , raman spectroscopy , pyridine , lewis acids and bases , chemistry , crystallography , base (topology) , stereochemistry , medicinal chemistry , physics , organic chemistry , catalysis , mathematics , mathematical analysis , optics
The new Lewis‐acid‐base adduct of WSF 4 and pyridine, WSF 4 ·NC 5 H 5 , was prepared by combination of WSF 4 and excess pyridine. The WSF 4 ·NC 5 H 5 adduct was characterized by 1 H, 13 C, 19 F NMR, and Raman spectroscopy, and by X‐ray crystallography. Calculations of the vibrational frequencies at the DFT level of theory aided in the assignment of the Raman spectrum. In contrast to WOF 4 , no experimental and theoretical evidence was found for the existence of a WSF 4 ·2NC 5 H 5 adduct.