• Journal of the Korean Chemical Society
• /
• v.30 no.2
• /
• pp.145-151
• /
• 1986

Using a new conductometric method, dissociation constants of 3-cyano, 4-cyano, 3-amino and 4-aminopyridine were measured in the temperature range 15 ∼ 40${\circ}C$ and pressure up to 2500bar in aqueous media. This method is convenient to apply to the low dissociative acid and base but have to do tedious extrapolating procedure for the ionic conductance in elaborated temperatures and pressures and have to know any reference dissociation constant. The measured dissociation constants were increased as the temperature increase but decreased as the pressure increase. From the constants, various thermodynamic properties were evaluated and discussed for the dissociation reactions.

• Journal of the Korean Chemical Society
• /
• v.30 no.2
• /
• pp.152-158
• /
• 1986

The dissociation constants of 4-Cl-1-naphthol, 6-Br-2-naphthol and $8-NH_2-2-naphthol$ in aqueous solution were measured by spectroscopic method in the temperature range from 25 to 40${\circ}C$ and pressure up to 2000bar. The dissociation constants were decreased as the substituents were inserted in naphthol f rom $4.4{\times}10^{-10}\;to\;5.82{\times}10^{-11}$ as chloride compound and $2.5{\times}10^{-10}\;to\;3.44{\times}10^{-11}\;or\;4.21{\times}10^{-11}$ as bromine or amino compounds, respectively. This decrease can be explained with the I-or R-effects of substituents. From the dissociation constants various thermodynamic properties were calculated and discussed the characteristics of the dissociation reaction.

• Journal of the Korean Chemical Society
• /
• v.31 no.5
• /
• pp.400-405
• /
• 1987

The two dissociation constants of three amino acid, glycine, alanine, and tryptophan were measured by the conductometric method in the temperature from 15 to 35$^{\circ}$C and pressure up to 2,500bar in aqueous solution. The both dissociation constants were increased as the temperature increased but the pressure effect were not same as the temperature effect. The first constants were increased as the pressure increased but second constants were decreased except tryptophan. The characteristic properties of these amino acids were discussed from the thermodynamic properties of the dissociation reaction. The substituted effects of the reaction were deduced from Hammett reaction and substituted constants which were calculated from the dissociation constants.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.4
• /
• pp.495-502
• /
• 2006

Intramolecular energy flow and C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited toluene in the collision with HF have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited toluene upon collision is not large and it increases slowly with increasing total vibrational energy content between 20,000 and 45,000 $cm ^{-1}$. Above the energy content of 45,000 $cm ^{-1}$, however, energy loss decreases. Furthermore, in the highly excited toluene, toluene gains energy from incident HF. The temperature dependence of energy loss is negligible between 200 and 400 K. Energy transfer to or from the excited methyl C-H bond occurs in strong collisions with HF transferring relatively large amount of its translational energy (>> $k_BT$) in a single step, whereas energy transfer to the ring C-H bond occurs in a series of small steps. When the total energy content $E_T$ of toluene is sufficiently high, either C-H bond can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability. The dissociation of the ring C-H bond is not the result of the intermolecular energy flow from the direct collision between the ring C-H and HF but the intramolecular flow of energy from the methyl group to the ring C-H stretch. The C-$H_{ring}$${\cdot}{\cdot}{\cdot}$HF interaction is not important in transferring energy and in turn bond dissociation.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.35 no.11
• /
• pp.1177-1184
• /
• 2011

Gas-to-Solid (GTS) technology is composed of three stages: hydrate production, transportation, and regasification. For efficient operation of regasification plants, it is crucial to predict the temperature and flow rate of hot water necessary to dissociate the hydrate pellets. Dissociated gas escaping from the pellet surface, when in contact with hot water, will alter the flow field and consequently alter the heat transfer rate. Methane hydrate pellet dissociation characteristics in low- to moderatetemperature water were investigated by taking images of the changes in the hydrate pellets' shapes in a pressurized reactor and measuring the total time required for complete melting of the pellets. The effects of water temperature, hydrate conversion rate, and flow speed on the dissociation completion time were also investigated. Bubbling gas released from the pellet surface induced a secondary flow that enhanced the heat transfer rate and thus decreased the dissociation time. It was also found that a considerable flow rate was needed to significantly decrease the dissociation time.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.8
• /
• pp.822-824
• /
• 1998

The simple and convenient measurement of the dissociation constant of an indicator, thymol blue, was achieved by using a portable diode-laser/fiber-optic thermal lensing spectroscopy, which consisted of a visible diode laser, a photodiode, and an optical fiber. It gives comparable results to the cited value obtained from a conventional UV/VIS spectroscopy.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2012.08a
• /
• pp.212-212
• /
• 2012

The Coverage dependent attachment of multifunctional groups included in threonine molecules adsorbed to Ge (100)$-2{\times}1$ surface was investigated using core-level photoemission spectroscopy (CLPES) and density functional theory (DFT) calculations. The core-level spectra at a low coverage indicated that the both carboxyl and amine groups participated in the bonding with the Ge (100) surface by "O-H dissociated and N-dative bonded structure". However, at high coverage level, additional adsorption geometry of "O-H dissociation bonded structure" appeared possibly to minimize the steric hindrance between adsorbed molecules. Moreover, the C 1s, N 1s, and O 1s core level spectra confirmed that the carboxyl oxygen is more competitive against the hydroxymethyl oxygen in the adsorption reaction. The adsorption energies calculated using DFT methods suggested that four of six adsorption structures were plausible. These structures were the "O-H dissociated-N dative bonded structure", the "O-H dissociation bonded structure", the "Om-H dissociated-N dative bonded structure", and the "Om-H dissociation bonded structure" (where Om indicates the hydroxymethyl oxygen). These structures are equally likely, according to the adsorption energies alone. Conclusively, we investigate in threonine on Ge (100) surface system that the "O-H dissociated-N dative bonded structure" and the "O-H dissociation bonded structure" are preferred at low coverage and high coverage.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.5
• /
• pp.1440-1448
• /
• 2014

Co(II)-tetrasulfonated phthalocyanine (CoTSP) is known to be aggregated to dimer at high concentration levels in water. A study on the aggregation of CoTSP using multivariate curve resolution analysis of the visible absorbance spectra over a concentration range of 30, 40 and 50 ${\mu}M$ in the presence of dimethyl sulfoxide (DMSO), dimethyl formamide (DMF), acetonitrile (AN) and ethanol (EtOH) in the concentration range of 0 to 3.57 M is conducted. A hard modeling-based multivariate curve resolution method was applied to determine the dissociation constants of the CoTSP aggregates at various temperatures ranging from 25, 45 and $65^{\circ}C$ and in the presence of various co-solvents. Dissociation constant for aggregation was increased and then decrease by temperature and concentration of phthalocyanine, respectively. Utilizing the vant Hoff relation, the enthalpy and entropy of the dissociation equilibriums were calculated. For the dissociation of both aggregates, the enthalpy and entropy changes were positive and negative, respectively. Molecular dynamics simulation of cosolvent effect on CoTSP aggregation was done to confirm spectroscopy results. Results of radial distribution function (RDF), root mean square deviation (RMSD) and distance curves confirmed more effect of polar solvent to decrease monomer formation.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2015.08a
• /
• pp.63.2-63.2
• /
• 2015

Controlling and sensing spin states of magnetic molecules such as metallo-porphyrins at the single molecule level is essential for spintronic molecular device applications. Axial coordinations of diatomic molecules to metallo-porphyrins also play key roles in dynamic processes of biological functions such as blood pressure control and immune response. However, probing such reactions at the single molecule level to understand their physical mechanisms has been rarely performed. Here we present on our single molecule association and dissociation experiments between diatomic and metallo-porphyrin molecules on Au(111) describing its adsorption structures, spin states, and dissociation mechanisms. We observed bright ring shapes in NO adsorbed metallo-porphyrin compelxes and explained them by considering tilted binding and precession motion of NO. Before NO exposure, Co-porphryin showed a clear zero-bias peak in scanning tunneling spectroscopy, a signature of Kondo effect in STS, whereas after NO exposures it formed a molecular complex, NO-Co-porphyrin, that did not show any zero-bias feature implying that the Kondo effect was switched off by binding of NO. Under tunneling junctions of scanning tunneling microscope, both positive and negative energy pulses. From the observed power law relations between dissociation rate and tunneling current, we argue that the dissociations were inelastically induced with molecular orbital resonances. Our study shows that single molecule association and dissociation can be used to probe spin states and reaction mechanisms in a variety of axial coordination between small molecules and metallo-porphyrins.

• Clinics in Shoulder and Elbow
• /
• v.1 no.1
• /
• pp.123-127
• /
• 1998

Scapulothoracic dissociation is a rare entity that consists of the disruption of the scapulothoracic articulation. The mechanism of injury is probably traction caused by a blunt force to the shoulder girdle. This lesion is characterized by massive soft-tissue swelling of the shoulder; lateral displacement of the scapula, an injury to bone, and a severe neurovascular injury. An l8-year-old man sustained a scapulothoracic dissociation as a result of severe shoulder girdle trauma. We report the diagnostic method, clinical and surgical management.