According to SAPT analysis, it is reveals that the electrostatic energy are the primary source of the attraction for the halogen bonding interactions while the pi-pi stacking interactions are dominantly dispersion energy. When the halogen bond and pi-pi stacking interaction coe...
Extra tables in CIF •hydrogen-bonding tables •extra tables •contacts tables Hydrogen-bonding tables The following data names should be used. loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_...
Crystal engineering for pi-pi stacking via interaction between electron-rich and electron-deficient heteroaromatics 来自 NCBI 喜欢 0 阅读量: 16 作者:Chang YC,Chen YD,Chen CH,Wen YS,Lin JT,Chen HY,Kuo MY,Chao I 摘要: New dipolar compounds containing alternating electron-rich thieno[3,2-b]...
stacking interactionSupramolecular double-chainAbstract [Cu(C12H8N2)(C4H4O4)(H2O)]2 · C4H6O4 was prepared by the reaction of succinic acid, CuCl2 · 2 H2O, 1,10-phenanthroline (phen = C12H8N2), and Na2CO3 in a CH3OH–H2O solution. The crystal structure (tri...
Energetically significant anti-parallel pi-stacking and unconventional anion-pi interactions in phenanthroline based Ni(II) and Cu(II) coordination compoun... the lattice, the unusual Cl(chlorido)center dot center dot center dot pi interaction observed in the crystal assembly of 2 is also energetica...
(Malay BanLec), would reduce mitogenicity of the engineered lectin without abolishing antiviral activity. We demonstrate that a single amino acid substitution, F84T, akin to the H84T mutation and predicted to remove the pi–pi stacking interaction, does indeed decrease mitogenicity while preserving...
By π–π stacking interaction, the aromatic molecules may be adsorbed on its hexagonal nanostructure, forming a stable hybrid structure and improving their electrical characteristics [49]. As seen in Figure 3g, the primary component of C-C/C=C and two minor C-O and O-C=O species were ...
The effects of cross-link of PPE on the interaction of molecular chains and π-π stacking were analyzed. 将其热固化后,通过紫外可见吸收光谱和荧光发射光谱分析,证明了PPE的交联能够在一定程度上消除分子链间的相互作用和π-π堆积效应。 更多例句>> 4) π-π interaction π-π作用 1. π-π in...
2.由于自己没有动手算过pi-pi stacking的体系，不知道这个体系的几个前线轨道是个什么样子，所以不好说...
In this work we report the first example of a trinuclear Pt(II) complex with Pt-Pt-Pt bonds that are not facilitated by direct intervention of bridging ligands but are partially held by the attractive -stacking interaction between the units of the 4,4'-dimethyl-2,2'-ligands. The effect ...