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21.
We report the results of molecular dynamics simulations of the solvent reorganization energy of intramolecular electron transfer in a charge-transfer molecule dissolved in water and acetonitrile at varying temperatures. The simulations confirm the prediction of microscopic solvation theories of a positive reorganization entropy in polar solvents. The results of simulations are analyzed in terms of the splitting of the reorganization entropy into the contributions from the solute-solvent interaction and from the alteration of the solvent structure induced by the solute. These two contributions mutually cancel each other, resulting in the reorganization entropy amounting to only a fraction of each component. 相似文献
22.
Abstract In this article, we have designed a microstructure fiber, which consists of elliptical air holes at the core region. We have investigated its optical properties using finite difference time domain method. The fundamental mode of the proposed microstructure fiber can induce very high birefringence. It has been realized that the value of birefringence is mainly decided by the shape of the air holes present in the first and second rings. The zero dispersion wavelengths of both fast and slow axes have been shifted to 0.64 micrometer. The proposed birefringent microstructure fiber may be useful in optical communication and sensors. 相似文献
23.
Arijit Ghorai Arun Kumar Mandal Susanta Banerjee 《Journal of polymer science. Part A, Polymer chemistry》2020,58(2):263-279
Sulfonated polytriazoles have drawn a great attention as high performance polymers and their good film forming ability. In the present study, a phosphorus containing new diazide monomer namely, bis-[4-(4′-aminophenoxy)phenyl]phenylphosphine was synthesized and accordingly, a series of phosphorus containing sulfonated polytriazoles (PTPBSH-XX) was synthesized by reacting equimolar amount of this diazide monomer (PAZ) in combination with another sulfonated diazide monomer (DSAZ) and a terminal bis-alkyne (BPALK) by the Cu (I) catalyzed azide–alkyne click polymerization. The polymers were characterized by nuclear magnetic resonance (1H, 13C, 31P NMR) and Fourier transform infrared spectroscopic techniques. The sulfonic acid content of the copolymers also determined from the different integral values obtained from the 1H NMR signals. The small-angle X-ray scattering results unfolded the well-separated dispersion of the hydrophilic and hydrophobic domains of the polymers. As a whole, the copolymer membranes displayed sufficient thermal, mechanical, and oxidative stabilities high with high proton conductivity and low water uptake that are essential for proton exchange membrane applications. The copolymers exhibited oxidative stability in the range of 15–24 h and had proton conductivity values were found as high as 38–110 mS cm−1 at 80 °C in completely hydrated condition. Among the all copolytriazoles, PTPBSH-90 (BPALK:DSAZ:PAZ = 100:90:10) having IECW = 2.44 mequiv g−1, showed proton conductivity as high as 119 mS cm−1 at 90 °C with an activation energy of 10.40 kJ mol−1 for the proton conduction. © 2020 Wiley Periodicals, Inc. J. Polym. Sci. 2020 , 58, 263–279 相似文献
24.
Lewis acid-mediated highly regioselective SN2-type ring-opening of 2-aryl-N-tosylazetidines with alcohols to afford various 1,3-amino ethers in excellent yields with good enantiomeric excess is described. Similar SN2-type ring-opening of chiral 2-phenyl-N-tosylaziridine with various alcohols produces the corresponding nonracemic 1,2-amino ethers in excellent yields and good ee. The mechanism of the ring-opening of aziridines and azetidines via an SN2 pathway is supported by the formation of nonracemic amino ethers. 相似文献
25.
26.
MJ Singh DO Kataria N Madhavan P Sugathan JJ Das DK Awasthi AK Sinha R Shanker 《Pramana》1999,53(4):743-764
A projectile ion-recoil ion coincidence technique has been employed to study the multiple ionization and the charge transfer
processes in collisions of 60–120 MeV Si
q+ (q = 4−14) ions with neutral argon atoms. The relative contribution of different ionization channels, namely; direct ionization,
electron capture and electron loss leading to the production of slow moving multiply charged argon recoil ions have been investigated.
The data reported on the present collision system result from a direct measurement in the considered impact energy for the
first time. The total ionization cross-sections for the recoil ions are shown to scale as q
1.7/E
p
0.5
, where E
p is the energy in MeV of the projectile and q its charge state. The recoil fractions for the cases of total- and direct ionizations are found to decrease with increasing
recoil charge state j. The total ionization fractions of the recoils are seen to depend on q and to show the presence of a ‘shell-effect’ of the target. Further, the fractions are found to vary as 1/j
2 upto j = 8+. The average recoil charge state 〈j〉 increases slowly with q and with the number of lost or captured electrons from or into the projectile respectively. The projectile charge changing
cross-sections σ
qq′ are found to decrease with increasing q for loss ionization and to increase with q for direct-and capture ionization processes respectively. The physics behind various scaling rules that are found to follow
our data for different ionization processes is reviewed and discussed. 相似文献
27.
KM Varier AM Vinodkumar NVSV Prasad PV Madhusudhana Rao DL Sastry Lagy T Baby MC Radhakrishna NG Puttaswamy JJ Das P Sugathan N Madhavan AK Sinha DO Kataria 《Pramana》1999,53(3):529-533
Large enhancements have been observed in the sub-barrier fusion cross sections for Ti+Ni systems in our previous studies.
Coupled channel calculations incorporating couplings to 2+ and 3− states failed to explain these enhancements completely. A possibilty of transfer channels contributing to the residual enhancements
had been suggested. In order to investigate the role of relevant transfer channels, measurements of one- and two-nucleon transfer
were carried out for 46,48Ti+61Ni systems. The present paper gives the results of these studies. 相似文献
28.
This work describes the synthesis of mixed oxide film of vanadium and ruthenium by pulsed deposition technique on multiwall carbon nanotubes and the decoration of gold nanoparticles on the mixed film. A ternary electrocatalyst has been developed for the electrochemical oxidation of hydrazine by combining two metal oxide mixtures with Au nanoparticles. Surface morphology and chemical composition of the electrode have been examined with SEM, EDX, HRTEM, EIS, and XRD. The peak current of hydrazine increased 9 times at the AuNPs/(VOx-RuOx)/CNT/GCE compared to the bare GCE, and the peak potential shifted to negative 848 mV. Linear sweep voltammetry (LSV) and amperometric techniques revealed that the AuNPs/(VOx-RuOx)/CNT/GCE displays linear concentration range 2.5–10000 µM (LSV) and the concentration range 0.03–100 µM (amperometry). The limit of detection (LOD) is 0.5 μM and 0.1 μM at (S/N = 3) for LSV and amperometric technique, respectively. The results obtained show a good RSD% of 2.1%–3.2% and reasonable recovery of 97%–108% of hydrazine detection. 相似文献
29.
Using the heavy quark approximation, we have studied the nonleptonic decay mode Λ
b
→Λ
c
a
1. We have included nonfactorizable contributions as well as factorizable ones in our analysis. The estimated branching ratio
for this process is (1.4±0.1)% and the asymmetry parameter α found to be −0.8. 相似文献
30.
In this paper, we make a systematic analysis of the dynamics of a predator–prey system with type-II functional response, in which the predator growth rate is affected by the presence of a super predator. The main aim of this research is to study the consequences of the presence of a super predator on the system dynamics. The existence and stability of the different possible equilibrium points are studied, and we conclude that the maximum consumption rate of a super predator plays a key role in determining the eventual state of the ecosystem. A detailed bifurcation analysis is carried out through numerical simulations, and we observe that theoretically it is possible to control the dynamics of the system by manipulating the consumption rate of the super predator. 相似文献