The title complex, {[Cu2（4,4＇-bipyridine）2（μ-O2CMe）2（O2CMe）2],H2O}n 1, was synthesized and structurally characterized by X-ray crystallography. It crystallizes in monoclinic, space group C2/c with a = 13.4474...The title complex, {[Cu2（4,4＇-bipyridine）2（μ-O2CMe）2（O2CMe）2],H2O}n 1, was synthesized and structurally characterized by X-ray crystallography. It crystallizes in monoclinic, space group C2/c with a = 13.4474（5）, b = 11.7566（2）, c = 19.5380（6）A, β = 92.930（2）°, V = 3084.84（16） A^3, Z = 4, Cu2C28N409H30, Mr = 693.64, Dc = 1.494 g/cm^3, F（000） = 1424 and μ（MoKα） = 1.436 mm^-1. With the use of 2062 observed reflections （I 〉 2σ（I））, the structure was refined to R = 0.0769 and wR = 0.2154. In complex 1, the dimeric copper acetate units are linked through 4,4’-bipyridine to yield ID molecular ladders. These ladders are connected via O-H…O hydrogen bonds to generate 2D layers, which are further linked through C-H…O hydrogen bonds to give a 3D supramolecular network.展开更多
We present theoretical study on quantum tunnelling in s-coupled single-molecule magnets （SMMs） by spincoherent-state path integral. It is found that, due to weak coupling between SMMs, the tunnelling process involvi...We present theoretical study on quantum tunnelling in s-coupled single-molecule magnets （SMMs） by spincoherent-state path integral. It is found that, due to weak coupling between SMMs, the tunnelling process involving more than one-spin-flip is effectively blocked and the main contribution to the relaxation of the mag- netization comes from the tunnelling processes involving just one-spin-flip. Starting from the negative saturated magnetization, the effect of the antiferromagnetic on tunnelling coupling is found to be qualitatively different from the ferromagnetic coupling. A criterion is developed to determine both the nature and the strength of the exchange coupling from the position of the first resonance of a spherical sample with homogeneous magnetization.展开更多
We reported a type of strong and highly directional non-covalent interactions based on the dimerization of single-stranded helix to double-stranded helix that can achieve supramolecular polymerization, giving rise to ...We reported a type of strong and highly directional non-covalent interactions based on the dimerization of single-stranded helix to double-stranded helix that can achieve supramolecular polymerization, giving rise to the formation of linear supramolecular polymers.展开更多
Three tripod molecules, tris(2-methoxy-5-nitrobenzyl)phosphine oxide (1), tris(2-butoxy-3-methyl-5-nitrobenzyl)phosphine oxide (2), and tris(3-nitrobenzyl)amine (TNBA), were synthesized and crystallized. The structure...Three tripod molecules, tris(2-methoxy-5-nitrobenzyl)phosphine oxide (1), tris(2-butoxy-3-methyl-5-nitrobenzyl)phosphine oxide (2), and tris(3-nitrobenzyl)amine (TNBA), were synthesized and crystallized. The structures of 1, 2, and their comparison (TNBA) were determined by X-ray crystallography. It is noteworthy that compound 1 interacted with adjacent molecules via π-π stacking and C-H···π interactions to yield an open supramolecular network with the porosity P in 8.9%, whereas compound 2 gathered closely to form an open-dimer capsule by sixfold N-O···π and triple C-H···O interactions, which showed a rare example of a stable in, out-invertomer of phosphine inversion existing in open-dimers. A series of columns were built and arranged side by side by these weak interactions. By contrast, TNBA crystallized to form a 2D network maintained by C-H···O and C-H···πinteractions. It seems minor changes of the chemical structure may cause large differences in the crystal structure and interactions in crystal engineering.展开更多
基金This work was supported by the Science Foundation of Fujian Provincial Key Laboratory of Polymer Materials
文摘The title complex, {[Cu2（4,4＇-bipyridine）2（μ-O2CMe）2（O2CMe）2],H2O}n 1, was synthesized and structurally characterized by X-ray crystallography. It crystallizes in monoclinic, space group C2/c with a = 13.4474（5）, b = 11.7566（2）, c = 19.5380（6）A, β = 92.930（2）°, V = 3084.84（16） A^3, Z = 4, Cu2C28N409H30, Mr = 693.64, Dc = 1.494 g/cm^3, F（000） = 1424 and μ（MoKα） = 1.436 mm^-1. With the use of 2062 observed reflections （I 〉 2σ（I））, the structure was refined to R = 0.0769 and wR = 0.2154. In complex 1, the dimeric copper acetate units are linked through 4,4’-bipyridine to yield ID molecular ladders. These ladders are connected via O-H…O hydrogen bonds to generate 2D layers, which are further linked through C-H…O hydrogen bonds to give a 3D supramolecular network.
文摘We present theoretical study on quantum tunnelling in s-coupled single-molecule magnets （SMMs） by spincoherent-state path integral. It is found that, due to weak coupling between SMMs, the tunnelling process involving more than one-spin-flip is effectively blocked and the main contribution to the relaxation of the mag- netization comes from the tunnelling processes involving just one-spin-flip. Starting from the negative saturated magnetization, the effect of the antiferromagnetic on tunnelling coupling is found to be qualitatively different from the ferromagnetic coupling. A criterion is developed to determine both the nature and the strength of the exchange coupling from the position of the first resonance of a spherical sample with homogeneous magnetization.
基金financially supported by the National Natural Science Foundation of China(Nos.21574054,21722403,and 21420102007)
文摘We reported a type of strong and highly directional non-covalent interactions based on the dimerization of single-stranded helix to double-stranded helix that can achieve supramolecular polymerization, giving rise to the formation of linear supramolecular polymers.
基金supported by the National Natural Science Foundation of China (Grant Nos. 20602017 & 20932004)the National Basic Research Program of China (Grant No. 2007CB925103)the Natural Science Foundation of Jiangsu (Grant No. BK2008259)
文摘Three tripod molecules, tris(2-methoxy-5-nitrobenzyl)phosphine oxide (1), tris(2-butoxy-3-methyl-5-nitrobenzyl)phosphine oxide (2), and tris(3-nitrobenzyl)amine (TNBA), were synthesized and crystallized. The structures of 1, 2, and their comparison (TNBA) were determined by X-ray crystallography. It is noteworthy that compound 1 interacted with adjacent molecules via π-π stacking and C-H···π interactions to yield an open supramolecular network with the porosity P in 8.9%, whereas compound 2 gathered closely to form an open-dimer capsule by sixfold N-O···π and triple C-H···O interactions, which showed a rare example of a stable in, out-invertomer of phosphine inversion existing in open-dimers. A series of columns were built and arranged side by side by these weak interactions. By contrast, TNBA crystallized to form a 2D network maintained by C-H···O and C-H···πinteractions. It seems minor changes of the chemical structure may cause large differences in the crystal structure and interactions in crystal engineering.
