Encapsulation of the BeII Cation: Spectroscopic and Computational Study

…, RJ Davidson, AK Burrell, TM McCleskey…

Index: Shaffer, Karl J.; Davidson, Ross J.; Burrell, Anthony K.; McCleskey, T. Mark; Plieger, Paul G. Inorganic Chemistry, 2013 , vol. 52, # 7 p. 3969 - 3975

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Abstract

The structures of a series of synthesized tetracoordinate beryllium (II) complexes with ligands derived from tertiary-substituted amines have been computationally modeled using DFT. A good correlation was observed between the calculated and the experiment spectroscopic properties. Several of the synthesized complexes gave rise to unexpected fluorescence, which could be described in terms of enhanced rigidity of certain ...

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