An unusual C=C center dot center dot center dot C=O interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates

作者：Zhang, Zhenfeng^*; Ma, Nana; Xuan, Xiaopeng

来源：New Journal of Chemistry, 2016, 40(1): 85-88.

DOI：10.1039/c5nj01814e

• NONCOVALENT INTERACTIONS
• DNA

An unusual C=C center dot center dot center dot C=O interaction has been discovered in (Z)-3-[(4-halogenphenypamino]-2-cyanoprop-2-enoates and rationalized by the density functional theory calculations. Second order perturbation theory analysis based on the NBO method and LMOEDA energy decomposition further reveals that the C=C center dot center dot center dot C=O interaction is mainly dominated by dispersion and electrostatic energies, and two orbital interactions.

• 出版日期2016
• 单位河南师范大学