Progressive structural and electronic properties of nano-structured carbon atomic chains

Usanmaz, Demet; Srivastava, G. P.

doi:10.1063/1.4805047

Cited by 4 publications

(1 citation statement)

References 34 publications

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“…There are, nevertheless, quite a number of fascinating properties predicted for carbyne structures (or shorter polyyne/ cumulene oligomers) from both theory and experiment, based on the unusual electrical and optical nature of sp-hybridized carbon. [26][27][28][29][30][31][32] This includes such applications as nanoelectronic or spintronic devices, 33 nonlinear optical materials, [34][35][36][37] molecular wires, [38][39][40][41][42][43][44][45][46][47] and others. [48][49][50][51] Recent theoretical calculations have also suggested that under tension, carbyne could be twice as stiff as the stiffest known materials, such as carbon nanotubes, graphene, and diamond.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and properties of long [n]cumulenes (n≥ 5)

2014

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Molecules composed of a contiguous sequence of double bonds, the [n]cumulenes, share structural similarities to both of their conjugated relatives, the polyenes and polyynes. The synthesis and properties of [n]cumulenes are, however, quite different from those of either polyenes or polyynes. At an infinite length, [n]cumulenes would provide one structural form of the hypothetical sp-hybridized carbon allotrope carbyne, while shorter derivatives offer model compounds to help to predict the properties of carbyne. Finally, derivatization of the π-electron framework of [n]cumulenes provides a number of different synthetic transformations, with cycloaddition reactions being the most common. In this review, both historical and recent synthetic achievements toward long [n]cumulenes (n ≥ 5) are discussed. This is followed by a description of our current understanding of the physical and electronic structure of [n]cumulenes based on UV/vis spectroscopy and X-ray crystallography. Finally, the reactivity of long [n]cumulenes is described.

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Section: Introductionmentioning

confidence: 99%

Synthesis and properties of long [n]cumulenes (n≥ 5)

2014

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Conformationally Rigid Ethynylene–Cumulene Conjugated Aromatic [30] Heteroannulenes with NIR Absorption: Synthesis, Spectroscopic and Theoretical Characterization

et al. 2019

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Two hitherto unknown conformationally rigid Hückel aromatic ethynylene–cumulene conjugated [30] heteroannulenes have been synthesized and characterized. A thorough solution-state spectroscopic characterization, combined with in-depth theoretical calculations, has been performed to arrive at the proposed geometry of the macrocycles. The most stable optimized structures for the free base form of both the macrocycles showed absolute planar geometries without any ring inversion with mean plane deviation (MPD) values of 0.00 and 0.00 Å, respectively, in accordance with the NMR spectroscopic observations. The induced correspondence of rigid ethynylene–cumulene moieties leading to near-infrared (NIR) absorption in neutral and protonated forms of macrocycles is the important highlight of this article. This noteworthy finding has been supported by DFT-level theoretical calculations. There is an increasing pursuit in designing such NIR-absorbing/-emitting systems due to their immense applications in medicine and biology for recognizing and transportation of various substrates. The geometry of the novel 30π aromatic heteroannulenes shows promise for evolution of such novel systems in near future.

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Tuning the conductance of monatomic carbon chain

Chen

Meng

et al. 2013

Journal of Applied Physics

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Ab initio calculations show that the conductance of short monatomic carbon chain can be dramatically modified by adhering a single H, N, or O atom to the chain. For example, the conductance of the pristine chain gets about two orders of magnitude smaller if an H atom is adhered to the chain. By a statistical model, the structure of the carbon chain with the single atom adhered is found to be quite stable at room temperature, indicating that the method can be used to tune the conductance of monatomic carbon chain.

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Progressive structural and electronic properties of nano-structured carbon atomic chains

Cited by 4 publications

References 34 publications

Synthesis and properties of long [n]cumulenes (n≥ 5)

Synthesis and properties of long [n]cumulenes (n≥ 5)

Conformationally Rigid Ethynylene–Cumulene Conjugated Aromatic [30] Heteroannulenes with NIR Absorption: Synthesis, Spectroscopic and Theoretical Characterization

Tuning the conductance of monatomic carbon chain

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