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Science China Mathematics - We study conditions of Hörmander’s L2-estimate and the Ohsawa-Takegoshi extension theorem. Introducing a twisted version of the Hörmander-type condition,... 相似文献
225.
We have studied the band structure and the band gap closure in phase I of solid iodine under high pressure, using the methods based on the quasiparticle theory, i.e. GW approximation. Our calculations show that the band gap in the Cmca structure, which is the structure of the phase I of solid iodine, closes around 20 GPa. This pressure is near the upper boundary of phase I. We discuss the possible metallic transition in the molecular phase of solid iodine and the possible changes of the crystal structure. 相似文献
226.
We have investigated the pressure-induced Raman spectral changes of 1-ethyl-3-methylimidazolium tetrafluoroborate ([emim][BF4]). We found that [emim][BF4] did not crystallize up to 1.2 GPa. The Raman CH stretching spectra arising from the CH3 groups of the ethyl-chain and the CH3 group adjacent to the imidazolium-ring in [emim]+ cation largely changed against pressure. Moreover, the Raman intensity of the CH2 (N) bending band arising from the alkyl-chain drastically changes with increasing pressure, but that of the imidazolium-ring in-plane bending band arising from the imidazolium-ring is independent of pressure. Our results show that the environment around the alkyl-chain of [emim][BF4] is largely perturbed rather than that around the imidazolium-ring upon compression. 相似文献
227.
Shuhei Akahori Prof. Dr. Takahiro Sasamori Prof. Dr. Hiroshi Shinokubo Prof. Dr. Yoshihiro Miyake 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(18):5675-5682
Self-assembly of π-conjugated molecules in solution generally occurs owing to either an enthalpic or an entropic gain; however, designing π-conjugated systems that simultaneously exhibit enthalpically and entropically favorable self-assembly behavior is challenging. Herein, the self-assembly behavior of tetraazatetrathia[8]circulenes is disclosed, which is driven by both enthalpy and entropy. Single-crystal X-ray diffraction analysis demonstrated that molecules of these tetraazatetrathia[8]circulenes form face-to-face stacked dimers with a 1D columnar structure owing to the circularly arranged dipole moments. Importantly, concentration- and temperature-dependent 1H NMR spectra revealed that the formation of self-assemblies of tetraazatetrathia[8]circulenes in chloroform and methanol is favored by both enthalpic and entropic factors. The unique association behavior is due to the presence of sp2-hybridized nitrogen atoms, which weakly coordinate to the hydrogen atoms of these solvents and reduce the π-electron density of the circulene cores. 相似文献
228.
Shuhei Akahori Prof. Dr. Takahiro Sasamori Prof. Dr. Hiroshi Shinokubo Prof. Dr. Yoshihiro Miyake 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(31):8178-8184
Quadruply BN-fused tetrathia[8]circulenes were synthesized through four-fold electrophilic borylation. The single-crystal X-ray diffraction analysis revealed that the BN-fused tetrathia[8]circulene with peripheral phenyl groups exhibits crystal polymorphism, in which the circulene core adopts both planar and saddle conformations in the solid state. The experimental and theoretical studies revealed that the weaker aromaticity of azaborine compared with benzene renders the flexibility of the BN-fused tetrathia[8]circulenes. 相似文献
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Imabayashi S Mita T Kakiuchi T 《Langmuir : the ACS journal of surfaces and colloids》2005,21(6):2474-2479
The effect of charge-inverting modification of single surface lysine residue on the electron transfer (ET) reaction of horse heart cytochrome c (cyt c) is examined for 12 different types of mono-4-chloro-2,5-dinitrobenzoic acid substituted cyt c (mCDNPc) adsorbed on a Au(111) electrode modified with a self-assembled monolayer (SAM) of 7-mercapto-heptanoic acid (MHA). A negative shift in the redox potential by 10-35 mV as compared to that of native cyt c and a monolayer coverage in the range of 13-17 pmol cm(-2) are observed for electroactive mCDNPc's. The magnitude of the decrease in the ET rate constant (k(et)) of mCDNPc's compared with that of native cyt c depends on the position of the CDNP substitution. For mCDNPc's in which the modified lysine residue is outside of the interaction domain of cyt c with the SAM, the ratio of the k(et) of mCDNPc to that of native cyt c is correlated to the change in the dipole moment vector of cyt c due to the CDNP modification. This correlation suggests that the dipole moment of cyt c determines its orientation of adsorption on the SAM of MHA and significantly affects the rate of the ET. The CDNP modification of lysine residues at the interaction domain significantly decreases the rate, demonstrating the importance of the local charge environment in determining the rate of ET. 相似文献