6,6,12-graphyne is the first non-hexagonal lattice that evinced graphene like Dirac fermions. The oligomers of this fascinating carbon system have recently been synthesized via iterative acetylenic coupling reactions. In this work, we have critically explored the characterizing Raman spectra, electronic and optical properties of these synthesized compounds from a theoretical perspective. The experimental yield of the oligomers shows an excellent agreement with our evaluated cohesive energy/atom. Besides, the first principles Raman spectra possess the signatures of both $s{p}^2$ and $sp$ hybridized carbon atoms present in the systems. The degree of polymerization of the oligomers can also be efficiently determined from the Raman active modes. Furthermore, the systems exhibit strong optical responses in the visible range. The limit above which these subsystems mimic the optical properties of the corresponding nanoribbon has been revealed. Finally, the UV–vis absorption spectra and non-linear hyper-polarizability have been reported in connection with the electronic structure for all the oligomers. The band gaps and corresponding optical responses in the visible range establish the relevance of these oligomers in smart optoelectronic devices. This work provides a thorough comparison between the already synthesized oligomers of 6,6,12-graphyne to assist future experiments and applications.

6,6,12-石墨烯是第一个非六边形晶格，类似于狄拉克费米子。最近已经通过迭代炔键偶联反应合成了这种令人着迷的碳系统的低聚物。在这项工作中，我们从理论的角度批判性地探索了这些合成化合物的表征拉曼光谱，电子和光学性质。低聚物的实验产率与我们评估的内聚能/原子显示出极好的一致性。此外，第一原理拉曼光谱具有两个特征$s{p}^{\mathrm{2个}}$ 和 $sp$系统中存在杂化碳原子。低聚物的聚合度也可以从拉曼活性模式有效地确定。此外，这些系统在可见光范围内表现出很强的光学响应。已经揭示了这些子系统模仿相应纳米带的光学特性的极限。最后，已经报道了与所有低聚物的电子结构有关的紫外可见吸收光谱和非线性超极化性。在可见光范围内的带隙和相应的光学响应确定了这些低聚物在智能光电设备中的相关性。这项工作提供了已合成的6,6,12-石墨烯低聚物之间的全面比较，以协助将来的实验和应用。