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 (
- Award ID(s):
- 2053541
- NSF-PAR ID:
- 10319797
- Date Published:
- Journal Name:
- Chemical Communications
- Volume:
- 58
- Issue:
- 19
- ISSN:
- 1359-7345
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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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 (
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/D1CC07303F
