نتایج جستجو برای: halogen bonding
تعداد نتایج: 47843 فیلتر نتایج به سال:
The reaction of 2-amino-ethanol and iodo-penta-fluoro-benzene in the presence of K(2)CO(3) gave the title compound, C(8)H(6)F(4)INO, in high yield. The structure is characterized by double layers of mol-ecules linked by O-H⋯O and N-H⋯O hydrogen bonds, and linear C-I⋯F [I⋯F = 3.049 (2) Å] and bent C-I⋯I [I⋯I = 3.9388 (7) Å] inter-actions between pairs of nearly parallel iodo-tetra-fluoro-phenyl ...
This work describes the combined use of synchrotron X-ray diffraction and density functional theory (DFT) calculations to understand the cocrystal formation or phase separation in 2D monolayers capable of halogen bonding. The solid monolayer structure of 1,4-diiodobenzene (DIB) has been determined by X-ray synchrotron diffraction. The mixing behavior of DIB with 4,4'-bipyridyl (BPY) has also be...
Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this interaction by theoretical and experimental methods, the chemical nature remains somewhat elusive, and it seems to vary with the selected system. In this work we present a detailed DFT analysis of three-center asymmetric halogen bond (XB...
As a function of the ability of the solvent to behave as acceptor of halogen bonding, the NLO-phores under study give rise to microbeta(lambda) values ranging from +192 x 10(-48) esu to -465 x 10(-48) esu.
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