Photophysical properties and optical nonlinearity of cyclo[18]carbon (C <sub>18</sub> ) precursors, C <sub>18</sub> –(CO) <sub> <i>n</i> </sub> ( <i>n</i> = 2, 4, and 6): focusing on the effect of the carbonyl groups
Xia Wang, Zeyu Liu, Xiufen Yan, Tian Lu, Haowei Wang, Weiwei Xiong, Mengdi Zhao
Abstract
moiety. The (hyper)polarizabilities of the cyclocarbon oxides present an ascending trend with the -CO groups in the molecule, and the higher-order response properties are more sensitive. With (hyper)polarizability density analysis and (hyper)polarizability contribution decomposition, the fundamental reasons for the difference of (hyper)polarizability of different molecules are systematically discussed from the perspective of physical and structural origins, respectively. Significant optical resonances under the frequency-dependent fields are found for the (hyper)polarizabilities of the cyclocarbon oxides, which is in contrast to the insignificant influence on their polarizability.