• Title/Summary/Keyword: IR spectra

Search Result 848, Processing Time 0.031 seconds

Dust Shells around OH/IR Stars

  • Suh, Kyung-Won
    • Journal of Astronomy and Space Sciences
    • /
    • v.5 no.2
    • /
    • pp.81-96
    • /
    • 1988
  • We have made new models for mass-losing OH/IR stars to explain the properties of the dust shells around them using more accurate information about the material in the shell and the physical precesses including pulsations. We have applied our dust opacity which has been deduced from observations and experimental data to various density distributions, calculated the model emergent spectra, and compared with observations. Contrary to previous suggestions, we could fit observations fairly well using density distribution $\rho\propto r^{-2}$, which is physically plausible, with proper choice of opacities. The time scales for dust formation, growth, and movement are calculated to be compared with pulsation periods. The change of the emergent spectrum depending on the phase of pulsation can be explained fairly well by changing dust condensation radius(for fixed dust condensation temperature) in step with the change in stellar luminosity. The effects of stellar wind models and pulsation models on dust shells with attention to emergent spectra are discussed.

  • PDF

Selective Data Reduction in Gas Chromatography/Infrared Spectrometry

  • Pyo, Dong Jin;Sin, Hyeon Du
    • Bulletin of the Korean Chemical Society
    • /
    • v.22 no.5
    • /
    • pp.488-492
    • /
    • 2001
  • As gas chromatography/infrared spectrometry (GC/IR) becomes routinely avaliable, methods must be developed to deal with the large amount of data produced. We demonstrate computer methods that quickly search through a large data file, locating thos e spectra that display a spectral feature of interest. Based on a modified library search routine, these selective data reduction methods retrieve all or nearly all of the compounds of interest, while rejecting the vast majority of unrelated compounds. To overcome the shifting problem of IR spectra, a search method of moving the average pattern was designed. In this moving pattern search, the average pattern of a particular functional group was not held stationary, but was allowed to be moved a little bit right and left.

Biophysical study of bioactive-substance conformation and interaction with drugs in solution

  • Yu, Byung-Sul;Lee, Bong-Jin;Sohn, Dong-Hwan
    • Archives of Pharmacal Research
    • /
    • v.8 no.3
    • /
    • pp.109-117
    • /
    • 1985
  • The interaction of salicylic acid (S. A.), salicylamide (S,M) with nucleic acid base derivatives such as 9-ethyl adenine (A), 1-cyclohexyl uracil (U), 2', 3'-benzylidine-5' trityl-cytidine (C), gaunosine-2', 3', 5'-isobutylate (G) has been spectroscopically investigated to determine the binding mechanism. NMR and IR spectra were measured in nonpolar solvents. The association constant K of the formation of complex was calculated from the IR spectra. Compounds S. A. and A form a 1:1 or 1:2 cyclic hydrogen-bonded complex depending on the sample concentration. Compounds S. A. and U form a 1:1 or 1:2 hydrogen-bonded complex on the sample concentration. Compounds S. A. and C form a 2:1 hydrogen-bonded complex at low concentration (0.0016M). Compound S. A. binds compound G, but its binding does not completely break the self-association of compound G, Compound S. M. binds compounds A. U. C. G. very weakly.

  • PDF

The Study on the Sericin Fixation Mechanism (세리신 정착 기구에 관한 연구)

  • 배도규
    • Journal of Sericultural and Entomological Science
    • /
    • v.37 no.2
    • /
    • pp.137-141
    • /
    • 1995
  • The sericin fixation of raw silk by glutaraldehyde solutions with catalyst(serifix B) was done and the effect of sericin fixation by catalyst on reaction mechanism, whiteness and physical properties were investigated and discussed. The obtained results were summarized as follows; 1) The complete sericin fixation were obtained by glutaraldyhyde solution regardless the concentration of catalyst. 2) The tenacities of sericin fixed silk increased in comparison with that of nontreated silk. 3) There were not constant tendency in elongation of sericin fixed silk in comparison with nontreated silk. 4) The whiteness of sericin fixed silk treated glutaral-silk in comparison with nontreated silk. 5) FT-IR spectra were quite different from sericin fixed reagent and catalyst.

  • PDF

Characterization of Monocrystalline $\beta-SiC$ Thin Film Grown by Chemical Vapor Deposition

  • Kim H. J.;Davis R. F.
    • Proceedings of the Korean Ceranic Society Conference
    • /
    • 1986.12a
    • /
    • pp.287-304
    • /
    • 1986
  • High quality monocrystalline $\beta$-SiC thin films were grown via two-step process of conversion of the Si(100) surface by reaction with $C_2H_4$ and the subsequent chemical vapor deposition (CVD) at $1360^{\circ}C$ and 1 atm total pressure. Four dopants, B and Al and p-type, and N and P for n-type, were also incorporated into monocrystalline $\beta$-SiC thin films during the CVD growth process. IR and Raman spectroscopies were used to evaluate the quality of the undoped $\beta$-SiC thin films and to investigate the effects of dopants on the structure of the doped $\beta$-SiC thin films. The changes in the shape of IR and Raman spectra of the doped thin films due to dopants were observed. But the XTEM micrographs except for the B-doped and annealed films showed the same density and distribution of stacking faults and dislocations as was seen in the undoped samples, The IR and Raman spectra of the B-doped and annealed films showed the broad and weak bands and one extra peak at the 850 $cm^{-1}$ respectively. The SAD pattern and XTEM micrograph of the B-doped and annealed film provided the evidence for twinning.

  • PDF

DFT Calculated Structures and IR Spectra of the Conformers of para-Bromocalix[4]aryl Derivatives

  • Ahn, Sangdoo;Lee, Dong-Kuk;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.12
    • /
    • pp.3514-3520
    • /
    • 2014
  • Molecular structures of the various conformers of para-bromocalix[4]aryl derivatives 1-4 were optimized using the DFT B3LYP calculation method. The total electronic and Gibbs free energies and normal vibrational frequencies of the different structures (CONE, partial cone (PACO), 1,2-Alternate(1,2-A) and 1,3-Alternate(1,3-A)) were calculated from the four kinds of para-bromocalix[4]aryl derivatives. The B3LYP/6-31G(d,p) calculations suggested the following: 1(PACO) is the most stable among four conformers of 1; 2(CONE) is the most stable among five conformers of 2; 3(PACO) is the most stable among four conformers of 3; 4(1,3-A) is the most stable among four conformers of 4. All the most stable structures optimized by the B3LYP calculation method were in accordance with the experimental crystal structures of 1-4. The calculated IR spectra of the various conformers (CONE, PACO, 1,2-A and 1,3-A) of 1-4 were compared.

A Study on the Gas Permeation Characteristics of Plasma Polymers (플라즈마 고분자에 대한 기체의 투과특성에 관한 연구)

  • Oh, Sae-Joong
    • Membrane Journal
    • /
    • v.4 no.4
    • /
    • pp.205-212
    • /
    • 1994
  • Gas permeation properties of simple gases(He, $H_2,\;CO_2,\;O_2,\;N_2,\;CH_4$) through plasma-polymerized films were investigated, and the chemical structure of the plasma polymers was analyzed by infrared spectra. The plasma-polymerized films were prepared by plasma polymerization of fluorine-containing aromatic compounds, and permeation measurements were made at $35^{\circ}C$, latm. The permeability coefficient of the plasma films decreased as the size of penetrant molecules increased. The plasma polymers showed higher $CO_2/CH_4$ selectivities than those of commonly used polymers, while $O_2/N_2$ selectivities were similar of slightly lower than those of common polymers. FT-IR spectra shows that the plasma polymers contain both aromatic and aliphatic structures.

  • PDF

The Availability of Automobile Catalytic Convert of Copper Based on the DFT Calculations of Cu-NO Complexes (Cu-NO 복합체에 대한 DFT 계산에 따른 Cu의 자동차 촉매변환기 적합성)

  • Ha, Kwanga;Lee, Min-Joo
    • Journal of the Korean Chemical Society
    • /
    • v.62 no.5
    • /
    • pp.358-363
    • /
    • 2018
  • The purpose of this study is to show the possibility of using Cu catalyst in removal of $NO_x$ from automobile exhaust which is regarded as the primary source of fine dust PM2.5. The energy and the bond lengths of the three possible structures of Cu-NO complex, which is formed by binding NO molecule to Cu, and the changes in IR and Raman spectra are calculated using MPW1PW91 method on the level of 6-311(+)G(d,p) of basis sets with Gaussian 09 program. As a result, the enthalpy of formation of the Cu-NO complexes are obtained as ${\Delta}H=104.89$, 91.98, -127.48 kJ/mol for the linear, bent, and bridging forms of them, respectively. And the bond lengths between N and O in NO complexes, which becomes longer than NO molecule, indicates that O is easily reduced from Cu-NO. In addition, the Cu-NO complexes using Cu catalyst can be easily measured by infrared or Raman spectroscopy because in the IR and Raman spectra of the NO and Cu-NO complexes the positon and the intensity of bands are definitely different in each vibration mode.