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Lewis Base Stabilized Dicarbon: Predictions from Theory

Authors

  • Dr. Jason L. Dutton,

    Corresponding author
    1. La Trobe Institute for Molecular Sciences and Department of Chemistry, La Trobe University, Melbourne, Victoria 3086 (Australia)
    • La Trobe Institute for Molecular Sciences and Department of Chemistry, La Trobe University, Melbourne, Victoria 3086 (Australia)
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  • Dr. David J. D. Wilson

    Corresponding author
    1. La Trobe Institute for Molecular Sciences and Department of Chemistry, La Trobe University, Melbourne, Victoria 3086 (Australia)
    • La Trobe Institute for Molecular Sciences and Department of Chemistry, La Trobe University, Melbourne, Victoria 3086 (Australia)
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  • We thank La Trobe University for funding of this work. The authors acknowledge support from the National Computational Infrastructure National Facility (NCI-NF), Victorian Partnership for Advanced Computing (VPAC), Victorian Life Science Computing Initiative (VLSCI), and the high-performance computing facility of La Trobe University.

Abstract

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Neue C-Liganden? Inspiriert durch jüngste Arbeiten über Hauptgruppenelementallotrope wurde eine theoretische Studie von Phosphan- und NHC-stabilisiertem Dikohlenstoff durchgeführt. Danach haben die Phosphan- und NHC-Addukte von C2 deutlich verschiedene elektronische Strukturen und sollten beide Arten von Molekülen effiziente, difunktionelle kohlenstoffbasierte Liganden sein.

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