Torsional bands of hydroxylamine

Infrared absorption spectrum of NH₂OH has been observed in its gaseous state, and the fine structures of the bands at 386 and 751 cm^?1 assignable, respectively, to the fundamental and overtone of the torsional vibration of this molecule have been examined. Band center frequencies for the n = 1 ← 0, 2 ← 1, 3 ← 2, 2 ← 0, and 3 ← 1 transitions (where n is the vibrational quantum number of the torsional oscillation) have been determined to be 386.2, 365.1, 346.3, 751.2, and 711.3 cm^?1, respectively. On the basis of these data, a discussion is given on the internal-rotation potential function.     

Non-Debye excess heat capacity and boson peak of binary lithium borate glasses

The non-Debye excess heat capacities of binary lithium borate glasses with different Li₂O compositions of x = 8, 14 and 22 (mol%) are investigated to understand origin of the boson peak. The low-temperature heat capacities are measured between 2 and 50 K by a relaxation calorimeter. The experimental non-Debye heat capacities with x = 14 is successfully reproduced using the excess vibrational density of states measured by inelastic neutron scattering. This finding indicates that the non-Debye heat capacities of lithium borate glasses originate from the excess vibrational density of states measureable by inelastic neutron scattering. Moreover, it is demonstrated that all of the excess heat capacity spectra lie on a single master curve by the scaling using boson peak temperature and intensity.     

Polarization-maintaining photonic crystal fibers with near-zero flattened dispersion in 1.06 μm waveband for medical applications

In this paper we present the design of a modified hexagonal photonic crystal fiber (PCF) having high birefringence and a near-zero flattened dispersion. Using the finite-difference method (FDM), it is shown that the proposed multiple Gedoped core hexagonal PCF exhibits a high birefringence of order 10⁻³ and a nearly zero flattened dispersion in the optical coherence tomography (OCT) waveband. In addition, the proposed PCF has a confinement loss of less than 10⁻⁸ dB/m at 1.06 μm. PCFs with such properties are considered suitable for both endoscopic OCT and other experimental setups employing 1.06 μm lasers.     

Measurements of mode field diameter and effective area of photonic crystal fibers by far-field scanning technique

We have demonstrated that the correction factor k _n = A _eff/(πw ²), where ω = MFD/2 (MFD: mode field diameter), is above 1.20 for photonic crystal fibers (PCFs) with structural parameters in the range of d/Λ ≅ 0.40 to 0.90 (d/Λ ratio of hole diameter d and pitch Λ). By using the far-field scanning (FFS) technique and the finite difference method, the results of experimental measurements and numerical simulations differed by only 0.9 to 3.0% for two types of PCFs. The finding that k _n ≠ 1.0 for PCFs indicates that their electrical field distribution is non-Gaussian and cannot be determined by assuming a conventional step-index distribution for PCFs. It was also found that the ITU-T Petermann II definition is the most suitable for MFD measurements of PCFs with non-Gaussian distribution.     

Low-temperature heat capacity of room-temperature ionic liquid, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Heat capacities of liquid, stable crystal, and liquid-quenched glass of a room-temperature ionic liquid (RTIL), 1-hexyl-3-methylimidazolium bis(trifluromethylsulfonyl)imide were measured between 5 and 310 K by adiabatic calorimetry. Heat capacity of the liquid at 298.15 K was determined for an IUPAC project as (631.6 +/- 0.5) J K(-1) mol(-1). Fusion was observed at T(fus) = 272.10 K for the stable crystalline phase, with enthalpy and entropy of fusion of 28.34 kJ mol(-1) and 104.2 J K(-1) mol(-1), respectively. The purity of the sample was estimated as 99.83 mol % by the fractional melting method. The liquid could be supercooled easily and the glass transition was observed around T(g) approximately 183 K, which was in agreement with the empirical relation, T(g) approximately ((2)/(3)) T(fus). The heat capacity of the liquid-quenched glass was larger than that of the crystal as a whole. In the lowest temperature region, however, the difference between the two showed a maximum around 6 K and a minimum around 15 K, at which the heat capacity of the glass was a little smaller than that of crystal.     

Tribochemical reaction dynamics of phosphoric ester lubricant additive by using a hybrid tight-binding quantum chemical molecular dynamics method

To study the atomistic behavior of the phosphoric ester molecule on the nascent Fe surface under boundary lubrication conditions, we adopted a hybrid tight-binding quantum chemical molecular dynamics method. First, we investigated chemical interactions between phosphoric ester and the nascent Fe surface. Phosphoric ester was shown to interact with the nascent Fe surface, forming both covalent and ionic bonds. Formation and dissociation dynamics of covalent bonds during tribochemical reaction was clearly observed during the simulation. The effect of friction condition on the tribochemical reaction dynamics was then studied, and it was indicated that friction would influence the formation and the dissociation of covalent bonds. By using a hybrid tight-binding quantum chemical molecular dynamics method, we obtained insights on initial tribochemical reaction processes for the formation of tribofilm from the phosphoric ester molecule on the nascent Fe surface.     

Photoinduced electron transfer and excitation energy transfer in directly linked zinc porphyrin/zinc phthalocyanine composite

Photoinduced electron transfer (ET) and excitation energy transfer (ENT) reactions in monomer and slipped-cofacial dimer systems of a directly linked Zn porphyrin (Por)-Zn phthalocyanine (Pc) heterodyad, ZnPc-ZnPor, were investigated by means of the picosecond and femtosecond transient absorption spectroscopies. In the dimer dyad system of two heterodyads connected through the coordination bond between two imidazolyl-substituted ZnPor bearing ZnPc, ZnPc-ZnPor(D), the rapid ENT from the ZnPor to ZnPc in the subpicosecond time region was followed by photoinduced charge separation (CS) and charge recombination (CR) with time constants of 47 and 510 ps, respectively. On the other hand in the monomer dyad system, no clear charge-separated state was observed although the CS with a time constant of 200 ps and CR with < or =70 ps were estimated. These results indicated that the dimer slipped-cofacial arrangement of pair porphyrins is advantageous for the effective production of the CS state. This advantage was discussed from the viewpoint of a decrease in the reorganization energy of the dimer relative to that of the monomer system. In addition, the electrochemical measurements indicated that the strong interaction between ZnPc and ZnPor moieties also contributed to the fast CS process despite the marginal driving force for the CS process. The dimer dyad of ZnPc-ZnPor provides full advantages in efficiencies of the light harvesting and the CS state production.