• Title/Summary/Keyword: o-Carborane

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A Conformational Comparison of 1,2-Bis(phenylthio)-o-carborane, $C_{14}H_{20}B_{10}S_2$, by X-Ray Diffraction Method and Molecular Orbital Calculation

  • Song, Kyu-Ho;Ko, Jae-Jung;Kang, Sang-Ook;Han, Won-Sik;Kwon, Soon-Nam;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.19 no.1
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    • pp.1-6
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    • 2008
  • The reaction of dilithio-o-carborane with dipenyl disulfide produces a phenyl thiolated o-carborane and it has been confirmed that there is conformational similarity between the structure of the compound elucidated by X-ray crystallography and that calculated by ab initio and density functional theory.

Synthesis and Crystal Structure of 1-(dimethylbromotin)-2-[(methoxyl)methly]-o-carborane $(C_{16}H_{21}B_{10}BrOSn)$ (1-(Dimethylbromotin)-2-[(methoxyl) methly]-o-carborane $(C_{16}H_{21}B_{10}BrOSn)$의 합성 및 결정 구조)

  • Cho Sung Il;Kang Sang Ook;Chang K.
    • Korean Journal of Crystallography
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    • v.15 no.2
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    • pp.88-92
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    • 2004
  • An organometallic compound, $(C_{16}H_{21}B_{10}BrOSn)$, was synthesized from o-carborane, closo-1-[(methoxyl)methyl]-o-carborane $(HCab^o)$, and $SnMe_2Br_2$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data: orthorhombic, space group Pna2, a = 17.9292(15)$\AA$, b= 7.2066(4)$\AA$, c=13.0582(10)$\AA$, Z=4, V=1687.2(2) $\AA^3$. The structure was solved by direct methods and refined by full-matrix least-squares methods to give a model with a reliability factor R=0.0574 for 1724 reflections.

The synthesis and crystal structure of $[({\eta}^5-Cp)Co]_2$(1,2-S,S-o-Carborane) $(C_{12}H_{20}B_{10}S_2Co_2)$ ($[({\eta}^5-Cp)Co]_2$ (1,2-S,S-o-Carborane) $(C_{12}H_{20}B_{10}S_2Co_2)$의 합성 및 결정구조)

  • Cho, Sung-Il
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.18 no.2
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    • pp.62-67
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    • 2008
  • An Organometallic compound, $C_{12}H_{20}B_{10}S_2Co_2$, was synthesized from o-carborane, $Cp^*Co(S_2B_2B_{10}H_{10})$ and $BH_3{\cdot}THF$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data: monoclinic, space group Cc, a=15.981(4) ${\AA}$, b=15.478(17) ${\AA}$, c=12.0562(17) ${\AA}$, ${\beta}=115.063(16)^{\circ}$, Z=4, V=9683(4) ${\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R = 0.0630 for 9948 reflections.

The Synthesis and Crystal Structure of (${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane)($C_{16}H_{35}B_{10}IrS_2Si$) ((${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane) ($C_{16}H_{35}B_{10}IrS_2Si$)의 합성 및 결정구조)

  • Cho, Sung-Il
    • Korean Journal of Crystallography
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    • v.18 no.1_2
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    • pp.1-6
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    • 2007
  • An Organometallic compound, $C_{16}H_{35}B_{10}IrS_2Si$, was synthesized from o-carborane, $Cp^*Ir(S_2C_2B{10}H_{10})$, and $Me_3SiCHN_2$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data : monoclinic, space group $P2_1/n$, $a=10.1986(12)\;{\AA}$, $b=14.834(5)\;{\AA}$, $c=17.139\;{\AA}$, ${\beta}=92.24(2)^{\circ}$, Z=4, $V=2591.0(14)\;{\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R=0.053 for 5080 reflections.

Synthesis and Characterization of Air Stable σ-Bonded ortho-carborane Manganese Metal Complexes $1-[Mn(CO)_5]-2-R-1,2-closo-(σ-C_2B_{10}H_{10}$ and Their Conversion to the Stable ortho-carborane Substituted Fischer-type Carbene Compexes 1-[(CO

  • 김세진;김유혁;고재정;강상욱
    • Bulletin of the Korean Chemical Society
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    • v.16 no.7
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    • pp.634-641
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    • 1995
  • The metal-carbon σ-bond cluster complexes 1-Mn(CO)5-2-R-1,2-C2B10H10 (R=CH3 Ia, C6H5 Ib) have been prepared in good yields from readily available carboranyl lithium complexes, 1-Li+-2-R-1,2-C2B10H10- (R=CH3, C6H5), by direct reaction with (CO)5MnBr. These manganese metal complexes are rapidly converted to the corresponding manganese metal carbene complexes, 1-[(CO)4Mn=C(OCH3)(CH3)]-2-R-1,2-C2B10H10 (R=CH3 IIIa, C6H5 IIIb), via alkylation with methyllithium followed by O-methylation with CF3SO3CH3. The crystal structure of IIIb was determined by X-ray diffraction. Thus, complex IIIb crystallizes in the orthorhombic space group P212121 with cell parameters a=15.5537(5), b=19.0697(5), c=7.4286(3) Å, V=2203.4(1) Å3, and Z=4. Of the reflections measured a total of 3805 unique reflections with F2>3σ(F2) was used during subsequent structure refinement. Refinement converged to R1=0.053 and R2=0.091. Structural studies showed that the manganese atom had a slightly distorted pseudo-octahedral configuration about the metal center with the carbene and ortho-carborane occupying the equatorial plane cis-orientation to each other.

Synthesis and Cation Binding Properties of Triester Calix[4]arenes and Calix[4]quinones

  • 남계천;강성옥;전종철
    • Bulletin of the Korean Chemical Society
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    • v.18 no.10
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    • pp.1050-1052
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    • 1997
  • The complexes M(CO)4-1,2-(PPh2)2-1,2-C2B10H10 (M=Cr 2a, Mo 2b, W 2c) have been prepared in good yields from readily available bis-diphenylphosphino-o-carboranyl ligand, closo-1,2-(PPh2)2-1,2-C2B10H10 (1), by direct reaction with Group Ⅵ metal carbonyls. The infrared spectra of the complexes indicate that there is an octahedral disposition of chelate bis-diphenylphosphino-o-carboranyl ligand around the metal atom. The crystal structure of 2a was determined by X-ray diffraction. Complex 2a crystallizes in the monoclinic space group P21/n with cell parameters a = 12.2360(7), b = 17.156(1), c = 16.2040(6) Å, V = 3354.1(3) Å3, and Z =4. Of the reflections measured a total of 2514 unique reflections with F2 > 3σ(F2) was used during subsequent structure refinement. Refinement converged to R1 = 0.066 and R2 = 0.071. Structural studies showed that the chromium atom had a slightly distorted pseudo-octahedral configuration about the metal center with two phosphine groups of o-carborane occupying the equatorial plane cis-orientation to each other. These metal carbonyl complexes are rapidly converted to the corresponding metal carbene complexes, [(CO)3M=C(OCH3)(CH3)]-1,2-(PPh2)2-1,2-C2B10H10 (M= Cr 3a, Mo 3b, W 3c), via alkylation with methyllithium followed by O-methylation with CF3SO3CH3.

Bis(morpholine)-substituted 1,3,5-Triazines Derivatives: Synthesis and Structural Study

  • Lee, Jong-Dae
    • Journal of Integrative Natural Science
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    • v.11 no.2
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    • pp.61-68
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    • 2018
  • New 4,4'-[6-(o-carboranylalkoxy)-1,3,5-triazine-2,4-diyl]dimorpholine derivatives have been prepared by reacting 4,4'-[6-(alkynyloxy)-1,3,5-triazine-2,4-diyl]dimorpholines with decaborane and N,N-dimethylaniline as base. The intermediate compounds, 4,4'-[6-(alkynyloxy)-1,3,5-triazine-2,4-diyl]dimorpholines, have been prepared by reacting 4,4'-[6-chloro-1,3,5-triazine-2,4-diyl]dimorpholines with prop-2-yn-1-ol, but-3-yn-1-ol, and pet-4-yn-1-ol, and potassium tert-butoxide (t-BuOK) as base. The structure of these compounds has been confirmed by IR, $^1H$, $^{11}B$, and $^{13}C$ NMR and X-ray crystallographic studies.