• Title/Summary/Keyword: Chemical shift range

Search Result 94, Processing Time 0.034 seconds

Simulations of Two-Dimensional Electronic Correlation Spectra

  • Kim, Hak Jin;Jeon, Seong Jun
    • Bulletin of the Korean Chemical Society
    • /
    • v.22 no.8
    • /
    • pp.807-815
    • /
    • 2001
  • Two-dimensional (2D) correlation method, which generates the synchronous and the asynchronous 2D spectrum by complex cross correlation of the Fourier transformed spectra, is an analysis method for the changes of the sample spectrum induced by vari ous perturbations. In the present work, the 2D electronic correlation spectra have been simulated for the cases where the sample spectrum composed of two gaussian bands changes linearly. When only the band amplitudes of the sample spectrum change, the synchronous spectrum shows strong peaks at the band centers of the sample spectrum, but the asynchronous spectrum does not make peaks. When the sample spectrum shifts without changing intensity and width, the synchronous spectrum shows peaks around the initial and final positions of the band maximum and the asynchronous spectrum shows long peaks spanning the shifting range. The band width change produces the complex 2D correlation spectra. When the sample spectrum shifts with band broadening, the width change by 50% of full width at half maximum (FWHM) does not give so large an effect on the correlation spectrum as the spectral shift by one half of FWHM of the sample spectrum.

Twisted Intramoecular Charge-Transfer Behavior of a Pre-Twisted Molecule, 4-Biphenylcarboxylate Bonded to Poly(Methyl Methacrylate)

  • 강성관;안교덕;조대원;윤민중
    • Bulletin of the Korean Chemical Society
    • /
    • v.16 no.10
    • /
    • pp.972-976
    • /
    • 1995
  • A trace amount of 4-biphenylcarboxylate having a pre-twisted biphenyl moiety was attached to a poly(methyl methacrylate) side chain and the fluorescence properties of the chromophore were investigated in various solvents such as ethyl acetate and butyl chloride. At room temperature, the polymer exhibited a distinct red shift of the short wavelength emission (325 nm) and an enhanced emission intensity around 430 nm upon excitation at the absorption red edge. The temperature dependence of the intensity ratio (R) of the 325 nm emission to the 430 nm emission was observed when exciting at the red edge over the temperature range between -20 and 60 ℃. However, the temperature dependence was not observed when exciting at the shorter wavelength. The Arrhenius plot of the R value shows the activation energy of 6.0 kJ/mol which is in good agreement with the energy required for the twist of the biphenyl moiety. Together with the results of red edge excitation effects it was concluded that the pre-twisted geometry of the biphenyl moiety is preserved by the restriction of the polymer chain to facilitate the formation of the twisted intramolecular charge transfer (TICT) state upon excitation.

A facile chemical synthesis of a novel photo catalyst: SWCNT/titania nanocomposite

  • Paul, Rima;Kumbhakar, Pathik;Mitra, Apurba K.
    • Advances in nano research
    • /
    • v.1 no.2
    • /
    • pp.71-82
    • /
    • 2013
  • A simple chemical precipitation technique is reported for the synthesis of a hybrid nanostructure of single-wall carbon nanotubes (SWCNT) and titania ($TiO_2$) nanocrystals of average size 5 nm, which may be useful as a prominent photocatalytic material with improved functionality. The synthesized hybrid structure has been characterized by transmission electron microscopy (HRTEM), energy-dispersive X-ray analysis (EDAX), powder X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy. It is clearly revealed that nearly monodispersed titania nanocrystals (anatase phase) of average size 5 nm decorate the surfaces of SWCNT bundles. The UV-vis absorption study shows a blue shift of 16 nm in the absorbance peak position of the composite material compared to the unmodified SWCNTs. The photoluminescence study shows a violet-blue emission in the range of 325-500 nm with a peak emission at 400 nm. The low temperature electrical transport property of the synthesized nanomaterial has been studied between 77-300 K. The DC conductivity shows semiconductor-like characteristics with conductivity increasing sharply with temperature in the range of 175-300 K. Such nanocomposites may find wide applications as improved photocatalyst due to transfer of photo-ejected electrons from $TiO_2$ to SWCNT, thus reducing recombination, with the SWCNT scaffold providing a firm and better positioning of the catalytic material.

Studies on the Spectrophotometric Determination and Electrochemical Behavior of Heavy Lanthanide Ions in Nonaqueous System and Heavy Metal Chelate Complexes with Bidentate Legands: (Part I) Flow Injection Spectrophotometric Determination of Heavy Lanthanide Ions with Xylenol Orange

  • Sam-Woo Kang;Chong-Min Park;Kwang-Hee Cho;Hong-Seock Han
    • Bulletin of the Korean Chemical Society
    • /
    • v.14 no.1
    • /
    • pp.59-62
    • /
    • 1993
  • Spectrophotometric determination of some heavy lanthanide ions by flow injection method is described. Xylenol Orange forms water soluble chelates with lanthanide ions in a tris[hydroxymethyl]-aminomethane-buffered medium having pH 8.3 and containing cetyltrimethylammonium bromide. The molar absorptivities of Ln(III)-XO complexes were increased by the ternary system with cetyltrimethylammonium bromide with the concomitant bathochromic shift of absorption maxium compared to those of the binary system without cetyltrimethylammonium bromide. The calibration curves are linear in the range 0.25-1.00 ppm for Gd(III), Dy(III), Er(III), Tm(III) and Yb(III) and the dynamic range are very wide. The detection limits (S/N=2) are from 2 ppb for Gd(III) to 30 ppb for Yb(III) and the relative standard deviations are from 1.2% for 0.5 ppm Gd(III) to 1.8% for 0.5 ppm Yb(III). The sample throughput was ca. 50 $h^{-1}$.

Rheological Behavior of Viscoelastic Semi-Solid Ointment Base (Vaseline) in Oscillatory Shear Flow Fields (진동전단유동장에서 점탄성 반고형 연고기제(바셀린)의 레올로지 거동)

  • Song, Ki-Won;Chang, Gap-Shik
    • Journal of Pharmaceutical Investigation
    • /
    • v.36 no.1
    • /
    • pp.31-38
    • /
    • 2006
  • Using a Rheometries Dynamic Analyzer (RDA II), the dynamic viscoelastic properties of a semi-solid ointment base (vaseline) in large amplitude oscillatory shear flow fields were measured over a temperature range of $25{\sim}45^{\circ}C$ and the linear viscoelastic behavior in small amplitude oscillatory shear flow fields was investigated over a wide range of angular frequencies. In this article, the nonlinear viscoelastic behavior was reported from the experimentally obtained data and the effect of temperature on this behavior was discussed in detail. In addition, the angular frequency and temperature dependencies of a linear viscoelastic behavior were explained. Finally, the applicability of a time-temperature superposition principle originally developed for polymeric materials was examined using a shift factor. Main results obtained from this study can be summarized as follows : (1) At very small strain amplitude region, vaseline shows a linear viscoelastic behavior independent of the imposed deformation magnitudes. Above a critical strain amplitude $({\gamma}_{0}=0.1{\sim}0.2%)$, however, vaseline exhibits a nonlinear viscoelastic behavior ; indicating that both the storage modulus and dynamic viscosity are sharply decreased with increasing deformation magnitude. (2) In large amplitude oscillatory shear flow fields, an elastic behavior (storage modulus) has a stronger strain amplitude dependence and begins to show a nonlinear behavior at a smaller strain amplitude region than does a viscous behavior (dynamic viscosity). (3) In small amplitude oscillatory shear flow fields, the storage modulus as well as the loss modulus are continuously increased as an increase in angular frequency and an elastic nature is always superior to a viscous behavior over a wide range of angular frequencies. (4) A time-temperature superposition principle can successfully be applicable to vaseline. This finding allows us to estimate the dynamic viscoelastic behavior of vaseline over an extraordinarily extended range (11 decades) of angular frequencies inaccessible from the experimentally measured range (4 decades).

Temperature-Range-Dependent Optimization of Noninvasive MR Thermometry Methods (온도범위에 따른 비침습적 자기공명 온도측정방법의 최적화)

  • Kim, Jong-Min;Kumar, Suchit;Jo, Young-Seung;Park, Joshua Haekyun;Kim, Jeong-Hee;Lee, Chulhyun;Oh, Chang-Hyun
    • Journal of Biomedical Engineering Research
    • /
    • v.36 no.6
    • /
    • pp.241-250
    • /
    • 2015
  • Noninvasive temperature monitoring is feasible with Magnetic Resonance Imaging (MRI) based on temperature sensitive MR parameters such as $T_1$ and $T_2$ relaxation times, Proton Resonance Frequency shift (PRFs), diffusion, exchange process, magnetization transfer contrast, chemical exchange saturation transfer, etc. While the temperature monitoring is very useful to guide the thermal treatment such as RF hyperthermia or thermal ablation, the optimization of the MR thermometry method is essential because the range of temperature measurement depends on the choice of the measurement methods. Useful temperature range depends on the purpose of treatment methods, for example, $42^{\circ}C$ to $45^{\circ}C$ for RF hyperthermia and over $50^{\circ}C$ for thermal ablation. In this paper, MR thermometry methods using $T_1$ and $T_2$ relaxation times and PRFs-based MR thermometry are tried on a 3.0 T MRI system and their results are reported and compared. In addition, the scanning protocol and temperature calculation algorithms from $T_1$ and $T_2$ relaxation times and PRFs are optimized for the different temperature ranges for the purpose of RF hyperthermia and/or thermal ablation.

Study on the micellization of cetyltrimethyl ammonium bromide in 4-biphenyl acetate solution (4-biphenyl acetate 수용액에서 Cetyltrimethyl Ammonium Bromide의 미셀화에 관한 연구)

  • Oh, Jung Hee
    • Analytical Science and Technology
    • /
    • v.8 no.2
    • /
    • pp.107-116
    • /
    • 1995
  • The critical micelle concentration(CMC) of CTAB was determined with changes in absorbance at 202nm band of 4-biphenyl acetate($BPA^-$). With $BPA^-$ as a probe, the effect of temperature on CMC of CTAB has been observed between $30^{\circ}C{\sim}70^{\circ}C$. In this range of temperature the values of CMC are $1.18{\times}10^{-4}{\sim}2.02{\times}10^{-4}M$. The free energy(${\Delta}G^{\circ}m$) and enthalpy(${\Delta}H^{\circ}m$)for the micellization of CTAB was negative and the entropy(${\Delta}S^{\circ}m$) was a large positive value. The micellization of CTAB is considered as a spontaneous process and to involve a phase transition. The orientational binding of 4-biphenyl acetate anion to the CTAB micelle interface has been studied with $300MHz\;H^1-NMR$ data. The change in chemical shift of proton in CTAB as well as those of the protons in $BPA^-$ have been investigated by increasing the mole fraction of the anion in the mixed solutions. The changes in chemical shift with increasing mole fraction of anion($BPA^-$) indicate the formation of mixed micelle between CTAB and $BPA^-$. The changes in chemical shifts of methylene protons in CTAB, demonstrate the penetration of $BPA^-$ into the palisade layer of the CTAB micelle.

  • PDF

Yielding behaviour of organically treated anatase $TiO_2$ suspension

  • Guo, J.;Tiu, C.;Uhlherr, P.H.T.;Fang, T.N.
    • Korea-Australia Rheology Journal
    • /
    • v.15 no.1
    • /
    • pp.9-17
    • /
    • 2003
  • The rheological behaviour of anatase $TiO_2$ with organic coating has been investigated extensively in this study. The yield stress was measured over a wide range of solids concentration and pH using stress-controlled and speed-controlled rheometers. The organic treatment leads to a shift of the isoelectric point (IEP) from around pH 5.5 to pH 2.4. A maximum yield stress occurs in the vicinity of the isoelectric point determined by electrokinetic measurements. The transition of rheological behaviour between elastic solid and viscous liquid is represented by a stress plateau in a plot of stress against strain. It is hypothesised that the slope of the stress plateau reflects the uniformity of the structure, and hence the distribution of bond strength. Altering the concentration and the surface chemistry can vary the bond strength and its distribution. therefore, resulting in different type of failure: "ductile-type" or "brittle-type". pH and volume fraction dependence of yield stress could be described quantitatively using existing models with reasonable agreement.easonable agreement.

Correlation between Chemical Shift and Optical Properties and of SiOC Films (탄소주입 실리콘 산화막 박막의 광학적 특성과 화학적 이동의 상관성)

  • Oh, Teresa
    • Journal of the Korea Academia-Industrial cooperation Society
    • /
    • v.13 no.3
    • /
    • pp.1279-1283
    • /
    • 2012
  • SiOC films made by the inductive coupled CVD with dimethyldimethoxysilane were analyzed to find out the correlation between the chemical and optical properties by using the Foruier transform infrared spectroscopy, spectrophotometer and ellipsometer. The bonding structure of SiOC film was formed during the depositeion and the adhesion was increased after annealing process. SiOC film decreased the polarization by the chemical reaction between alkyl group and hydroxyl group, and increased the degree of amorphism. For the range of 950 cm-1 in FTIR spectra, the spectra were divided into two types depending on polar sites. The refractive index of SiOC film with the lowest polarization increased and the thickness of that decreased.

Photochromic Spiropyran-Functionalized Organic-Inorganic Hybrid Mesoporous Silica for Optochemical Gas Sensing (광화학적 가스 센싱을 위한 광변색 스피로피란 개질된 유기-무기 하이브리드 메조포러스 실리카)

  • Park, Sung Soo;Ha, Chang-Sik
    • Journal of Adhesion and Interface
    • /
    • v.17 no.4
    • /
    • pp.141-148
    • /
    • 2016
  • In this work, mesoporous silica (SBA-15) was synthesized via self-assembly process using triblock copolymer ($PEO_{20}PPO_{70}PEO_{20}$, P123) as template and tetraethyl orthosilicate (TEOS) as silica source under acidic condition. SBA-15 have high surface area ($704m^2g^{-1}$) and uniform pore size (8.4 nm) with well-ordered hexagonal mesostructure. Spiropyran-functionalized SBA-15 (Spiropyran-SBA-15) was synthesized via post-synthesis process using 3-(triethoxysilyl)propyl isocyanate (TESPI) and 1-(2-Hydroxyethyl)-3,3-dimethy-lindolino-6'-nitrobenzopyrylo-spiran (HDINS). Spiropyran-SBA-15 was produced with hexagonal array of mesopores without damage of mesostructre. Surface area and pore size of Spiropyran-SBA-15 were $651m^2g^{-1}$ and 8.0 nm, respectively. Optochemical properties of Spiropyran-SBA-15 was studied with chemical vapors such as EtOH, THF, $CHCl_3$, Acetone and HCl. Main peaks of photofluorescence of Spiropyran-SBA-15 exhibited blue shift in the range of 603.4~592.1 nm after exposure under EtOH, THF, $CHCl_3$, and Acetone vapors. Normalized peak intensities decreased in the range of 0.8~0.3. The main peak of photofluorescence of Spiropyran-SBA-15 showed significant blue shift of 592.1 nm after exposure under HCl vapor, while normalized peak intensity decreased to 0.1.