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71.
Herein, we submitted to the original synthesis, characterization, energy transfer mechanism of the Bodipy-bearing pillar[5]arene Bodipy and its reactants by employing of infrared, 1H, 11B, 13C, 19F-NMRs, UV–vis, fluorescence spectroscopy, melting point apparatus, CHN elemental analysis and mass spectroscopy. Preliminary UV–vis, fluorescence and excitation measurements were carried out in CH2Cl2 and the results revealed an effective fluorescence resonance energy transfer (FRET) system based on the interaction of pillar[5]arene and Bodipy derivative. εmax of target molecule reached to a maximum value and it was found as 955 000?M?1?cm?1. This fluorescent macromolecule worked well for mimicking a light harvesting system with an energy transfer efficiency up to 92%. 相似文献
72.
Erdogdu Murat A. Ozdaglar Asuman Parrilo Pablo A. Vanli Nuri Denizcan 《Mathematical Programming》2022,195(1-2):243-281
Mathematical Programming - Semidefinite programming (SDP) with diagonal constraints arise in many optimization problems, such as Max-Cut, community detection and group synchronization. Although... 相似文献
73.
74.
Mustafa Tombul Kutalmis Guven Orhan Büyükgüngr Huseyin Aktas Tahsin Nuri Durlu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(9):m430-m432
In the title compound, poly[(μ3‐boric acid)‐μ4‐maleato‐dipotassium], [K2(C4H2O4){B(OH)3}]n, there are two independent K+ cations, one bonded to seven O atoms (three from boric acid and four from maleate), and the other eight‐coordinate via three boric acid and four maleate O atoms and a weak η1‐type coordination to the C=C bond of the maleate central C atoms. Hydrogen bonding links the boric acid ligands and maleate dianions, completing the packing structure. 相似文献
75.
Ionized water clusters, , have been of remarkable interest owing to their crucial roles in many chemical and biological processes. Small cationic water clusters , n = 2 to 6 serve as reasonable models for understanding the nature of the ionized water. In this study, employing high-level ab initio quantum chemical methods, such as the density-fitted orbital-optimized linearized coupled-cluster doubles (DF-OLCCD), coupled-cluster singles and doubles (CCSD), and coupled-cluster singles and doubles with perturbative triples [CCSD(T)], a high-accuracy study of structures and energetics for cationic water clusters [, n = 2-6] is presented. In this study, 2 dimer, 8 trimer, 18 tetramer, 23 pentamer, and 25 hexamer clusters are reported. Most of the structures considered are reported for the first time. Relative, binding, and vertical attachment energies (VAEs), for the first time, are presented at the complete basis set (CBS) limit, extrapolating energies of the aug-cc-pVTZ and aug-cc-pVQZ basis sets, to provide the most accurate energetics to date. Our results demonstrate that as cluster size increases, the VAE value decreases, which indicates that large-size clusters better compensate for the electron deficiency compared with small-size clusters. The VAE values for pentamer and hexamer clusters are 118.5 to 165.5 and 121.9 to 153.7 kcal mol−1, respectively. Further, our binding energy results, at the CCSD(T)/CBS level, indicate strong bindings in cationic clusters due to hydrogen bond interactions. The average binding energy per water molecule varies from −16.6 to −21.8 kcal mol−1 for the clusters considered. Hence, we present the most extensive and accurate study on ionized water clusters to date. Further, our results indicate that the DF-OLCCD method is very promising for ionic molecular clusters, and its accuracy approaches the CCSD(T) quality. The inexpensive analytic gradients of DF-OLCCD, compared with CCSD(T), make it very helpful for high-accuracy studies of molecular geometries. 相似文献
76.
Woodward JD Backov RV Abboud KA Dai D Koo HJ Whangbo MH Meisel MW Talham DR 《Inorganic chemistry》2005,44(3):638-648
Three ladder-like coordination polymers, [Cu2(phprpy)2-mu-(N3)2(N3)2], 1; [Cu2(terpy)2-mu-(N3)4Cu2-mu-(N3)2(N3)2], 2; and[Cu2(terpy)2-mu-(N3)2(N3)2Cu3-mu-(N3)4(N3)2], 3, consisting of Cu2+ ions with double end-on azide bridges were synthesized, their crystal structures and magnetic properties were determined, and spin dimer analysis was performed to explain the signs and strengths of their strong spin exchange interactions [phprpy is 4-(3-phenylpropyl)pyridine and terpy is 2,2':6,2'-terpyridine]. Although these compounds have ladder-like arrangements of Cu2+ ions, their magnetic structures are described as isolated dimers for 1 and 2 and as isolated trimers for 3. The predominant spin exchange paths in 1-3 have double end-on azide bridges linking adjacent Cu2+ ions, and the geometrical parameters of these bridging structures are similar. However, the spin dimer of 1 exhibits a strong ferromagnetic coupling; that of 2, a strong antiferromagnetic coupling; and that of 3, a weak ferromagnetic coupling. These findings are well explained by the present spin dimer analysis and show that the nature and geometry of the nonbridging ligands can have a strong influence on the sign and strength of the spin exchange interaction between Cu2+ ions connected by double end-on azide bridges. 相似文献
77.
A novel determination method of electroinactive molecules by means of electrochemical technique is presented. A new self-assembled monolayer containing cyclodextrin (CD) is prepared with mono(6-o-p-tolylsulfonyl)-β-cyclodextrin. Although this derivatization process leads to a β-CD coverage of 10% of a full monolayer, this layer shows an effective host-guest response to ferrocene. The interfacial ferrocene complexation gives a response similar to that expected for a Langmuir adsorption isotherm yielding a stability constant of 4.2 ×104 mol-1· L and a maximum ferrocene coverage of 8.6×10-12 mol/cm2. The redox peak currents of the surface-confined ferrocene decrease upon addition of competing β-CD guest species to the solution, such as m-toluic acid (mTA) and sodium dodecyl sulfonate (SDS). This principle has been used for the determination of the electroinactive molecules, mTA and SDS in the concentration ranges of 0.8-2.7 μmol/L and 5-100 nmol/L, respectively. 相似文献
78.
In this paper, we investigate uniform convergence of the improper Hubbell radiation rectangular source (HRS) integral H(a,b). We prove that HRS integral H(a,b) is uniform convergent in the domain D?{(a,b)∈[0,A]×[0,∞)} for any positive finite number A. Then we give an accurate and efficient computation algorithm for the HRS integral. 相似文献
79.
Fernando Dobarro Bülent Ünal 《Nonlinear Analysis: Theory, Methods & Applications》2009,71(11):5476-5490
In the framework of standard static space–times, we state a family of sufficient or necessary conditions for a set of physically reasonable energy and convergence conditions in relativity and related theories. We concentrate our study on questions about the sub-harmonicity of the warping function, the scalar curvature map, conformal hyperbolicity, conjugate points and the time-like diameter of this class of space–times. 相似文献
80.