GROUND STATE OF THE $C_{6}$ MOLECULE

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1987

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Ohio State University

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Pure carbon molecules have been trapped in neon and argon matrices at 4K from the vapor over thermal- or laser-heated graphite or from the microwave discharge of traiacetylene in argon. Linear triplet C4 has previously been identified.1 Corresponding signals attributed to a linear C6 molecule in a 3Σ state, probably the ground state, are also observed. 13C nuclear hyperfine structure again supports a cumulene-type bonding. The zero-field-splitting parameter was found to be |p|=0,363cm−1 (in neon), about 50 larger than that of C4. These results will be discussed relative to recent ab initio calculations.2,3

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1 W. R. M. Graham, K. I. Dismuke, and W. Weltner, Jr., Astrophys. J. 204, 301 (1976). 2 K. Raghovachari, R. A. Whiteside, and J. A. Pople, J. Chem. Phys. 85, 6623 (1986). 3 D. W. Ewing (private communication).


Author Institution: Department of Chemistry, University of Florida; Department of Chemistry, Wake Forest University; Nicols Research Corp., Wake Forest University

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