• Title/Summary/Keyword: Bonds

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Bonding of Electron Deficient Thallium-Metal Cluster Compound

  • Kang, Sung-Kwon
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.191-195
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    • 1993
  • Molecular orbital calculations at the extended Huckel level have been carried out for an electron deficient cluster, $Tl_3(FeL_3)_2{(FeL_4)_3}^{-3}$, where L=CO or $H^-$. The LUMO, $2a_2$", is destabilized by the secondary interaction of the LUMO with $1a_2$" on $(FeL_3)_2$ fragment. This is one of six skeletal bonding orbitals which are associated with $Tl-FeL_3$ bonds. Overlap population analysis has been applied to account for two kinds of Tl-Fe bonds. Replacement of the terminal $C_{3v}$, $FeL_4$, by the $C_{2v}$, $FeL_4$ units in cluster results in slight energy stabilization of the cluster.

Status, Challenges and Strategic Directions for the ESG Bond Market in Korea (ESG 채권 현황 및 활성화 방안에 관한 연구)

  • Kang, Yun-Sik;Chung, Jay M.
    • Asia-Pacific Journal of Business
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    • v.11 no.1
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    • pp.45-60
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    • 2020
  • Recently, ESG bond issuance has been gradually spreading to banks and non-financial private companies in Korea. However, the Korean ESG bond market is still in its infancy in terms of size, diversity and investor base compared to the global ESG bond market. In other words, ESG bonds are rapidly forming in the global market, but are still in the formation stage in the domestic market, and various policy and practical measures such as system, incentives, and infrastructure are needed to activate them. In this paper, we examine the domestic and international status of ESG bonds in relation to responsible investment. In addition, this paper explores specific measures to revitalize the domestic ESG bond market in four aspects: establishing ESG bond standards, procedures and regulations, increasing ESG bond investment demand, increasing ESG bond issuance, building market infrastructure and market efforts. This study is expected to contribute to the development of the domestic ESG bond market and responsible investment.

Covalent Adaptable Liquid Crystal Elastomers Comprising Thiourea Bonds: Reprocessing, Reprogramming and Actuation

  • Lee, Jin-Hyeong;Park, Sungmin;Kim, Yong Seok;Kim, Dong-Gyun;Ahn, Suk-kyun
    • Elastomers and Composites
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    • v.57 no.2
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    • pp.55-61
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    • 2022
  • In this work, we report a highly deformable covalent adaptable-liquid crystal elastomer (CA-LCE) comprising dynamic thiourea bonds that enable macromolecular network rearrangement at elevated temperatures. The exchange of chain network is verified through stress-relaxation analyses and follows Arrhenius-type behavior. The unique capability of rearranging the chain network in the CA-LCE provides useful properties, such as welding, melt reprocessing, and shape reprogramming, that cannot be achieved by the conventional LCE comprising permanent crosslinks. Reversible actuation is further demonstrated by reprogramming the polydomain CA-LCE into a monodomain via mechanical stretching at elevated temperatures.

Debt Investment Outflows and Inflows in Korea and Covered Interest Parity Deviation (채권시장 자본유출입과 무위험 금리평형 이탈)

  • Gab-Je Jo
    • Korea Trade Review
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    • v.47 no.1
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    • pp.181-198
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    • 2022
  • This paper investigates the arbitrage effect by the covered interest parity (CIP) deviation, as well as other push or pull factor effect on capital inflows and ouflows in the Korean bond market, by utilizing OLS, TSLS, IRF and VDC in EC model. The sample period covers February 2002 to December 2020. It is found that, the swap basis reflecting the CIP deviations have the significant effects on both debt investment inflows and debt investment outflows. Also, it is found that, the Korean risk factors have decreasing effects on foreigner's investment in the Korean bonds, while the global risk factors have decreasing effects on Korean resident's investment in the foreign bonds.

Analysis of Cis- Trans Photoisomerization Mechanism of Rhodopsin Based on the Tertiary Structure of Rhodopsin

  • Yamada, Atsushi;Yamato, Takahisa;Kakitani, Toshiaki;Yamamoto, Shigeyoshi
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.51-54
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    • 2002
  • We propose a novel mechanism (Twist Sharing Mechanism) for the cis-trans photoisomerization of rhodopsin, based on the molecular dynamics (MD) simulation study. New things devised in our simulations are (1) the adoption of Mt. Fuji potentials in the excited state for twisting of the three bonds C9=C10, C11=C12 and C13=14 which are modeled using the detailed ab initio quantum chemical calculations and (2) to use the rhodopsin structure which was resolved recently by the X-ray crystallographic study. As a result, we found the followings: Due to the intramolecular steric hindrance between 20-methyl and 10-H in the retinal chromophore, the C12-C13 and C10-C11 bonds are considerably twisted counterclockwise in rhodopsin, allowing only counterclockwise rotation of the C11 =C12 in the excited state. The movement of 19-methyl in rhodopsin is blocked by the surrounding three amino acids, Thr 118, Met 207 and Tyr 268, prohibiting the rotation of C9=C10. As a result only all-trans form of the chromophore is obtainable as a photoproduct. At the 90$^{\circ}$ twisting of C11=C12 in the course of photoisomerization, twisting energies of the other bonds amount to about 20 kcal/mol. If the transition state for the thermal isomerization is assumed to be similar to this structure, the activation energy for the thermal isomerization around C11=C12'in rhodopsin is elevated by about 20 kcal/mol and the thermal isomerization rate is decelerated by 10$\^$-14/ times than that of the retinal chromophore in solution, protecting photosignal from the thermal noise.

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The Crystal and Molecular Structure of Salicylaldehyde-4-piperidinothiosemicarbazone (Salicylaldehyde-4-piperidinothiosemicarbazone의 결정 및 분자구조)

  • Young-Ja Lee
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.3-14
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    • 1976
  • The crystal structure of alicylaldehyde-4-piperidinothiosemicarbazone, $C_{13}H_{l7}N_3OS$, has been determined by single crystal X-ray analysis. The crystals are orthorhombic, space group $P2_12_12_1$, with unit cell dimensions a = 6.52(2), b = 13.42(4), c = 14.92(4)${\AA}$. There are four formular units in a unit cell. The structure was solved by the heavy atom method and refined by isotropic block diagonal least-squares methods to a final R value of 0.10 for 1019 observed reflections. The oxygen atom of the hydroxyl group is involved in two hydrogen bonds, one as donor in the intramolecular O-H${\cdots}$N hydrogen bond and the other as acceptor in the intermolecular N-H${\cdots}$O hydrogen bond, the distances of the hydrogen bonds 2.56 and 3.00${\AA}$ respectively.The molecules are joined into infinite columns by the N-H${\cdots}o$O hydrogen bonds which form spirals along the two fold screw axis parallel to the a axis. The molecular columns are held together by van der Waals forces.

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Structure of Chloro bis(1,10-phenanthroline)Cobalt(II) Complex, [Co(phen)2(Cl)(H2O)]Cl·2H2O

  • Pu Su Zhao;Lu De Lu;Fang Fang Jian
    • Journal of the Korean Chemical Society
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    • v.47 no.4
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    • pp.334-338
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    • 2003
  • The crystal structure of $[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P1, with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$, and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33${\AA}$). The intermolecular hydrogen bonds connect the $[Co(phen)_2(Cl)(H_2O)]1+,\;H_2O$ moieties and chloride ion.