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Polychloride Monoanions from [Cl 3 ] − to [Cl 9 ] − : A Raman Spectroscopic and Quantum Chemical Investigation
Author(s) -
Brückner Robin,
Haller Heike,
Ellwanger Mathias,
Riedel Sebastian
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201103659
Subject(s) - raman spectroscopy , ammonium , quantum chemical , ion , chemistry , salt (chemistry) , spectroscopy , inorganic chemistry , crystallography , molecule , physics , organic chemistry , quantum mechanics , optics
Polychloride monoanions stabilized by quaternary ammonium salts are investigated using Raman spectroscopy and state‐of‐the‐art quantum‐chemical calculations. A regular V‐shaped pentachloride is characterized for the [N(Me) 4 ][Cl 5 ] salt, whereas a hockey‐stick‐like structure is tentatively assigned for [N(Et) 4 ][Cl 2 ⋅⋅⋅Cl 3 − ]. Increasing the size of the cation to the quaternary ammonium salts [NPr 4 ] + and [NBu 4 ] + leads to the formation of the [Cl 3 ] − anion. The latter is found to be a pale yellow liquid at about 40 °C, whereas all the other compounds exist as powders. Further to these observations, the novel [Cl 9 ] − anion is characterized by low‐temperature Raman spectroscopy in conjunction with quantum‐chemical calculations.