ArticleMolecules (Basel, Switzerland)2021
Exceptionally Long Covalent CC Bonds-A Local Vibrational Mode Study.
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon-Carbon Bonds.Molecules (Basel, Switzerland) · 2025Article
- QM40, Realistic Quantum Mechanical Dataset for Machine Learning in Molecular Science.Scientific data · 2024Article
- Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory.International journal of molecular sciences · 2023Article
- Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico Study.International journal of molecular sciences · 2022Article
- Uranium: The Nuclear Fuel Cycle and Beyond.International journal of molecular sciences · 2022Review
- On the formation of CN bonds in Titan's atmosphere-a unified reaction valley approach study.Journal of molecular modeling · 2021Article
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Authors and funding
5 authors.
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Abstract
For decades one has strived to synthesize a compound with the longest covalent C-C bond applying predominantly steric hindrance and/or strain to achieve this goal. On the other hand electronic effects have been added to the repertoire, such as realized in the electron deficient ethane radical cation in its D3d form. Recently, negative hyperconjugation effects occurring in diamino-o-carborane analogs such as di-N,N-dimethylamino-o-carborane have been held responsible for their long C-C bonds. In this work we systematically analyzed CC bonding in a diverse set of 53 molecules including clamped bonds, highly sterically strained complexes such as diamondoid dimers, electron deficient species, and di-N,N-dimethylamino-o-carborane to cover the whole spectrum of possibilities for elongating a covalent C-C bond to the limit. As a quantitative intrinsic bond strength measure, we utilized local vibrational CC stretching force constants ka(CC) and related bond strength orders BSO
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