• 제목/요약/키워드: o-Carborane

검색결과 14건 처리시간 0.024초

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
    • 한국결정학회지
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    • 제19권1호
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    • pp.1-6
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    • 2008
  • Dilithio-o-carborane과 dipenyl disulfide를 반응(反應)하여 a phenyl thiolated o-carborane compound가 얻어 졌으며 X-ray crystallography로 밝혀진 이 compound의 구조(構造)와 ab initio 및 density functional theory로 계산(計算)한 이 compound의 구조문(構造間)에 conformational similarity가 있음을 확인(確認)하였다.

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

  • 조성일;강상욱;장경화
    • 한국결정학회지
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    • 제15권2호
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    • pp.88-92
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    • 2004
  • 유기금속 화합물 $(C_{16}H_{21}B_{10}BrOSn)$를 o-carborane으로부터 출발하여 closo-1-[(methoxyl) methyl]-o-carborane$(HCab^o)$를 합성하고, $SnMe_2Br_2$을 가하여 합성하였다. X-선 회절법을 이용하여 $(C_{16}H_{21}B_{10}BrOSn)$ 화합물의 분자구조를 규명하였다. 이 화합물의 결정학적 자료는 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)$\AA^3$이다. 결정 구조는 직접법으로 해석하였으며, 1724개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.0574인 분자 모형을 구하였다.

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

  • 조성일
    • 한국결정성장학회지
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    • 제18권2호
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    • pp.62-67
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    • 2008
  • 유기금속 화합물 $C_{12}H_{20}B_{10}S_2Co_2$를 o-carborane으로 출발하여 $Cp^*Co(S_2B_2B_{10}H_{10})$을 합성하고, $BH_3{\cdot}THF$를 가하여 합성하였다. X-선 회절법을 이용하여 $C_{12}H_{20}B_{10}S_2Co_2$ 화합물의 분자구조를 규명하였다. 이 화합물의 결정학적 자료는 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) ${\AA}^3$이다. 결정 구조는 직접법으로 해석하였으며, 완전행렬최소자승법을 정밀화 하였으며 9948개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.0630인 분자모형을 구하였다.

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

  • 조성일
    • 한국결정학회지
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    • 제18권1_2호
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    • pp.1-6
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    • 2007
  • 유기금속 화합물 $C_{16}H_{35}B_{10}IrS_2Si$를 o-carborane으로 출발하여 $Cp^*Ir(S_2C_2B{10}H_{10})$을 합성하고, $Me_3SiCHN_2$를 가하여 합성하였다. X-선 회절법을 이용하여 $C_{16}H_{35}B_{10}IrS_2Si$ 화합물의 분자구조를 규명하였다. 이 화합물의 결정학적 자료는 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, $V=2591.0(14)\;{\AA}^3$이다. 결정 구조는 직접법으로 해석하였으며, 완전행렬최소자승법을 정밀화 하였으며 5080개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.053인 분자모형을 구하였다.

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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    • 제16권7호
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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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    • 제18권10호
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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
    • 통합자연과학논문집
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    • 제11권2호
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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.