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It has been shown by electrospray ionization–ion‐trap mass spectrometry that B12I122− converts to an intact B12 cluster as a result of successive stripping of single iodine radicals or ions. Herein, the structure and stability of all intermediate B12In− species (n=11 to 1) determined by means of first‐principles calculations are reported. The initial predominant loss of an iodine radical occurs most...
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