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Creators/Authors contains: "Czekner, Joseph"

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  1. ; ; ; ; ; (, The Journal of Physical Chemistry A)
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  2. ; (, The Journal of Physical Chemistry A)
    null (Ed.)
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  3. ; ; ; (, The Journal of Physical Chemistry A)
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  4. ; ; ; (, Journal of the American Chemical Society)
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  5. ; ; ; (, Journal of the American Chemical Society)
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  6. ; ; ; ; ; (, The Journal of Physical Chemistry Letters)
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  7. ; ; ; (, The Journal of Chemical Physics)
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  8. ; ; ; (, The Journal of Chemical Physics)
  9. ; ; ; (, The Journal of Chemical Physics)
  10. ; ; ; ; ; (, Angewandte Chemie International Edition)
    Abstract In a high‐resolution photoelectron imaging and theoretical study of the IrB3−cluster, two isomers were observed experimentally with electron affinities (EAs) of 1.3147(8) and 1.937(4) eV. Quantum calculations revealed two nearly degenerate isomers competing for the global minimum, both with a B3ring coordinated with the Ir atom. The isomer with the higher EA consists of a B3ring with a bridge‐bonded Ir atom (Cs,2A′), and the second isomer features a tetrahedral structure (C3v,2A1). The neutral tetrahedral structure was predicted to be considerably more stable than all other isomers. Chemical bonding analysis showed that the neutralC3visomer involves significant covalent Ir−B bonding and weak ionic bonding with charge transfer from B3to Ir, and can be viewed as an Ir–(η3‐B3+) complex. This study provides the first example of a boron‐to‐metal charge‐transfer complex and evidence of a π‐aromatic B3+ring coordinated to a transition metal. 
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