• Title/Summary/Keyword: 4d orbital

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Synthesis and Spectroscopic Characterization of Manganese(II), Iron(III) and Cobalt(III) Complexes of Macrocyclic Ligand. Potential of Cobalt(III) Complex in Biological Activity

  • El-Tabl, Abdou S.;Shakdofa, Mohamad M.E.;El-Seidy, Ahmed M.A.
    • Journal of the Korean Chemical Society
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    • v.55 no.6
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    • pp.919-925
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    • 2011
  • A new series of manganese(II), iron(III) and cobalt(III) complexes of 14-membered macrocyclic ligand, (3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine) have been prepared and characterized by elemental analyses, IR, UV-VIS, $^1H$- and $^{13}C$- NMR spectra, magnetic susceptibilities, conductivities, and ESR measurements. Molar conductance measurements in DMF solution indicate that the complexes are electrolytes. The ESR spectrum for cobalt(III) complex in $CD_3OD+10%D_2O$ after exposure to $^{60}Co-{\gamma}$-rays at 77 K using a 0.2217 M rad $h^{-1}$ vicrad source showed $g_{\perp}$ > $g_{\parallel}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_z2$ orbital with covalent bond character. In this case, the ligand hyperfine tensors are nearly collinear with ${\gamma}$-tensors, so there is no major tendency to bend. Therefore, little extra delocalization via the ring lobe of the $dz^2$ orbital occurs. However, the ESR spectrum in solid state after exposure to $^{60}Co-{\gamma}$-rays at 77 K showed $g_{\parallel}$ > $g_{\perp}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_x2_{-y}2$ ground state as the resulting spectrum contains a large number of randomly oriented molecules provided that, the principle directions of g and A tensors. Manganese (II) complex 2, $[H_{12}LMn]Cl_4.2H_2O$, showed six isotropic lines characteristic to an unpaired electron interacting with a nucleus of spin 5/2, however, iron(III) complex 3, $[H_{12}LFe]Cl_5.H_2O$, showed spectrum of a high spin $^{57}Fe$ (I=1/2), $d^5$ configuration. The geometry of these complexes was supported by elemental analyses, IR, electronic and ESR spectral studies. Complex 1 showed exploitation in reducing the amount of electron adducts formed in DNA during irradiation with low radiation products.

PERIOD VARIATION STUDY OF THE NEGLECTED ALGOL ECLIPSING BINARY SYSTEM V346 CYGNIUS

  • Hanna, Magdy
    • Journal of The Korean Astronomical Society
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    • v.47 no.3
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    • pp.99-104
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    • 2014
  • We present the rst period variation study for the Algol eclipsing binary V346 Cyg by constructing the (O-C) residual diagram using all the available precise minima times. We conclude that the period variation can be explained by a sine-like variation due to the presence of a third body orbiting the binary in about $68.89{\pm}4.69$ years, together with a long-term orbital period decrease ($dP/dt=-1.23{\times}10^{-7}day/yr$) that can be interpreted to be due to slow mass loss from the ${\delta}$-Scuti primary component. The sinusoidal variation may also be explained by using the the Applegate (1992) mechanism involving cyclic magnetic activity due to star-spots on the secondary component. The present preliminary solution needs more precise photometric observations to be confirmed.

WFIRST ULTRA-PRECISE ASTROMETRY I: KUIPER BELT OBJECTS

  • Gould, Andrew
    • Journal of The Korean Astronomical Society
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    • v.47 no.6
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    • pp.279-291
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    • 2014
  • I show that the WFIRST microlensing survey will enable detection and precision orbit determination of Kuiper Belt Objects (KBOs) down to $H_{vega}=28.2$ over an effective area of ${\sim}17deg^2$. Typical fractional period errors will be ${\sim}1.5%{\times}10^{0.4(H-28.2)}$ with similar errors in other parameters for roughly 5000 KBOs. Binary companions to detected KBOs can be detected to even fainter limits, $H_{vega}=29$, corresponding to R~30.5 and effective diameters D~7 km. For KBOs H~23, binary companions can be found with separations down to 10 mas. This will provide an unprecedented probe of orbital resonance and KBO mass measurements. More than a thousand stellar occultations by KBOs can be combined to determine the mean size as a function of KBO magnitude down to H~25. Current ground-based microlensing surveys can make a significant start on finding and characterizing KBOs using existing and soon-to-be-acquired data.

A study on the Nonlinear Normal Mode Vibration Using Adelphic Integral

  • Huinam Rhee;Kim, Jeong-Soo
    • Journal of Mechanical Science and Technology
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    • v.17 no.12
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    • pp.1922-1927
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    • 2003
  • Nonlinear normal mode (NNM) vibration, in a nonlinear dual mass Hamiltonian system, which has 6$\^$th/ order homogeneous polynomial as a nonlinear term, is studied in this paper. The existence, bifurcation, and the orbital stability of periodic motions are to be studied in the phase space. In order to find the analytic expression of the invariant curves in the Poincare Map, which is a mapping of a phase trajectory onto 2 dimensional surface in 4 dimensional phase space, Whittaker's Adelphic Integral, instead of the direct integration of the equations of motion or the Birkhoff-Gustavson (B-G) canonical transformation, is derived for small value of energy. It is revealed that the integral of motion by Adelphic Integral is essentially consistent with the one obtained from the B-G transformation method. The resulting expression of the invariant curves can be used for analyzing the behavior of NNM vibration in the Poincare Map.

Structural Analysis and Single-Crystal EPR Study of Dimeric Cu(I) Complex with TTF Derivative

  • Kwon, Sun-Young;Seo, Young-Joo;Lee, Yang-Joo;Noh, Dong-Youn;Lee, Hong-In
    • Journal of the Korean Magnetic Resonance Society
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    • v.8 no.2
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    • pp.86-95
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    • 2004
  • A Cu(I) complex with an asymmetric TTF derivative (CET-EDTTTF) is prepared from the slow-diffusion method using CET-EDTTTF and Cu(I)Br solutions and characterized by X-ray crystallography and EPR spectroscopy. Structural analysis shows Cu(I) ions are tetrahedrally coordinated to two bridging bromides, one terminal bromide, and one S atom from CET-EDTTTF. Detailed geometrical and EPR analysis identified that the dimmer molecule contains [Cu$_2Br_4]^{2-}$ anion between two [CET-EDTTTF]$^+$ radical cations. Single-crystal EPR investigation of the complex reveals that the ganisotropy is unusually big, compared to those of the previously reported TTF+ cation radicals, implying that there is significant contribution of the Cu d-orbital to the HOMO of the complex.

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Synthesis of the New 1,2-Dithiolene Metal Complexes[M$(BDDT)_2^-$] (M=Ni, Cu) and Their Electrode Structures

  • 전기원;Robert D. Bereman
    • Bulletin of the Korean Chemical Society
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    • v.17 no.7
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    • pp.612-616
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    • 1996
  • The new 1,2-dithiolene, 1,4-butanediyldithioethylene-1,2-dithiolate (BDDT2-), has been isolated. In addition, new monoanionic bis-complexes with nickel and copper have been prepared and characterized. In order to investigate the detailed electronic structure of the metal complexes of the new ligand, BDDT2-, in terms of the oxidation state of the central metal ions, we have carried out molecular orbital (MO) calculations of Ni(BDDT)2-and Cu(BDDT)2- utilizing an Extended Huckel method. Cyclic voltammetry data for both complexes were obtained with a potentiostat. We have also compared these results to the previously synthesized Ni(PDDT)2-, Ni(DDDT)2-,Cu(PDDT)2-, and Cu(DDDT)2-.

Accuracy Assessment of 3D Geo-positioning for SPOT-5 HRG Stereo Images Using Orbit-Attitude Model (궤도기반 모델을 이용한 SPOT-5 HGR 입체영상의 3차원 위치결정 정확도 평가)

  • Wie, Gwang-Jae;Kim, Deok-In;Lee, Ha-Joon;Jang, Yong-Ho
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.27 no.5
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    • pp.529-534
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    • 2009
  • In this study, we investigate the feasibility of modeling entire image strips that has been acquired from the same orbital segments. We tested sensor models based on satellite orbit and attitude with different sets(Type1 ~ Type4) of unknowns. We checked the accuracy of orbit modeling by establishing sensor models of one scene using control points extracted from the scene and by applying the models to adjacent scenes within the same orbital segments. Results indicated that modeling of individual scenes with 1st or 2nd order unknowns was recommended. We tested the accuracy of around control points, digital map using the HIST-DPW (Hanjin Information Systems & Telecommunication Digital Photogrammetric Workstation) As a result, we showed that the orbit-based sensor model is a suitable sensor model for making 1/25,000 digital map.

The First Photometric Study of the Neglected Contact Binary GX Aurigae

  • Park, Jang-Ho;Lee, Jae Woo;Kim, Chun-Hwey
    • The Bulletin of The Korean Astronomical Society
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    • v.41 no.1
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    • pp.41.3-42
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    • 2016
  • New CCD photometric observations of GX Aur have been made between 2004 and 2015. Our light curves are the first ever compiled and display the variable O'Connell effect. The light variations are satisfactorily modeled by including time-varying cool-spots on the component stars. Our light curve synthesis indicates that the eclipsing pair is an A-type contact binary with parameters of i = 81.1 deg, ${\Delta}T=36K$, q = 0.950 and f = 46%. Including our 25 timing measurements, a total of 83 times of minimum light spanning about 66 yr were used for a period study. It was found that the orbital period of GX Aur has varied due to two periodic oscillations superposed on an upward-opening parabolic variation. The long-term period increase rate is deduced as $+9.636{\times}10^{-10}d\;yr^{-1}$, which can be produced as a mass transfer from the secondary star to the primary at a rate of $3.136{\times}10^{-6}M_{\odot}\;yr^{-1}$, among the largest rates for contact systems. The periods and semi-amplitudes of the two periodic variations are about $P_3=8.7yr$ and $P_4=21.2yr$, and $K_3=0.011d$ and $K_4=0.017d$, respectively. The most reasonable explanation for both cycles is a pair of light-travel-time effects driven by the possible existence of an unseen third and fourth components with projected masses of $M_3=0.91M_{\odot}$ and $M_4=1.09M_{\odot}$ in eccentric orbits of $e_3=0.13$ and $e_4=0.73$. Because no third light was detected in the light curve synthesis, each circumbinary object could be a compact star or a binary itself.

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V608 CASSIOPEIAE: A W UMA-TYPE ECLIPSING BINARY WITH TWO POSSIBLE CIRCUMBINARY COMPANIONS

  • Park, Jang-Ho;Lee, Jae Woo
    • Journal of The Korean Astronomical Society
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    • v.55 no.1
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    • pp.1-9
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    • 2022
  • We present the photometric properties of V608 Cas from detailed studies of light curves and eclipse timings. The light curve synthesis indicates that the eclipsing pair is an overcontact binary with parameters of ∆T = 155 K, q = 0.328, and f = 26%. We detected the third light ℓ3, which corresponds to about 8% and 5% of the total systemic light in V and R bands, respectively. Including our 6 timing measurements, a total of 38 times of minimum light were used for a period study. It was found that the orbital period of V608 Cas has varied in some combination of an upward parabola and two periodic variations. The continuous period increase with a rate of +3.99 × 10-7 d yr-1 can be interpreted as a mass transfer from the secondary component to the primary star at a rate of 1.51 × 10-7 M yr-1. The periods and semi-amplitudes of the two periodic variations are about P3 = 16.0 yr and P4 = 26.3 yr, and K3 = 0.0341 d and K4 = 0.0305 d, respectively. The most likely explanation of both cycles is a pair of light-traveling time effects operated by the possible presence of third and fourth components with estimated masses of M3 = 2.20 M and M4 = 1.27 M in eccentric orbits of e3 = 0.66 and e4 = 0.52. Because the contribution of ℓ3 is very low compared to the estimated masses of two circumbinary objects, they can be inferred as very faint compact objects.

Review on Electronic Correlations and the Metal-Insulator Transition in SrRuO3

  • Pang, Subeen
    • Applied Microscopy
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    • v.47 no.3
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    • pp.187-202
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    • 2017
  • The classical electron band theory is a powerful tool to describe the electronic structures of solids. However, the band theory and corresponding density functional theory become inappropriate if a system comprises localized electrons in a scenario wherein strong electron correlations cannot be neglected. $SrRuO_3$ is one such system, and the partially localized d-band electrons exhibit some interesting behaviors such as enhanced effective mass, spectral incoherency, and oppression of ferromagnetism and itinerancy. In particular, a Metal-Insulator transition occurs when the thickness of $SrRuO_3$ approaches approximately four unit cells. In the computational studies, irrespective of the inclusion of on-site Hubbard repulsion and Hund's coupling parameters, correctly depicting the correlation effects is difficult. Because the oxygen atoms and the symmetry of octahedra are known to play important roles in the system, scrutinizing both the electronic band structure and the lattice system of $SrRuO_3$ is required to find the origin of the correlated behaviors. Transmission electron microscopy is a promising solution to this problem because of its integrated functionalities, which include atomic-resolution imaging and electron energy loss spectroscopy.