Catalysis of the Quadricyclane to Norbornadiene Rearrangement by SnCl2 and CuSO4

被引：3
|
作者：
Shubina, Tatyana E.
Clark, Timothy [1 ]
机构：
[1] Univ Erlangen Nurnberg, Comp Chem Centrum, D-91052 Erlangen, Germany
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES | 2010年 / 65卷 / 03期
关键词：
Ab initio Calculations; Density Functional Calculations; Electron Transfer; Catalysis; Rearrangement; GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; QUADRATIC CONFIGURATION-INTERACTION; INFRARED ABSORPTION-SPECTROSCOPY; COUPLED-CLUSTER SINGLES; RADICAL-CATION; ELECTRON CORRELATION; ORBITAL METHODS; VALENCE ISOMERIZATION; 3RD-ROW ATOMS;
D O I：
10.1515/znb-2010-0319
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Ab anti and density-functional theory (DFT) calculations have been used to investigate the model rearrangements of quadricyclane to norbornadiene catalysed by single CuSO4 and SnCl2 molecules. The isolated reactions with the two molecular catalysts proceed via electron-transfer catalysis in which the hydrocarbon is oxidised, in contrast to systems investigated previously in which the substrate was reduced. The even-electron SnCl2-catalysed reaction shows singlet-triplet two-state reactivity. Solvation by a single methanol molecule changes the mechanism of the rearrangement to a classical Lewis acid-base process.
引用
收藏
页码：347 / 356
页数：10
相关论文
共 50 条
  • [1] FLASH PHOTOLYSIS OF SNCL2 AND SNCL4 - DISSOCIATION ENERGIES OF SNCL2 AND SNCL
    OLDERSHAW, GA
    ROBINSON, K
    [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (19): : 2963 - +
  • [2] SPECIFIC CATALYSIS OF SNCL2 MELT FOR HYDROLIQUEFACTION OF SUBBITUMINOUS COAL
    NOMURA, M
    KAWAKAMI, Y
    MIYAKE, M
    [J]. FUEL PROCESSING TECHNOLOGY, 1986, 14 : 261 - 268
  • [3] Heterogeneous SnCl2/SiO2 versus Homogeneous SnCl2 Acid Catalysis in the Benzo[N,N]-heterocyclic Condensation
    Darabi, Hossein Reza
    Aghapoor, Kioumars
    Mohsenzadeh, Farshid
    Jalali, Mohammad Reza
    Talebian, Shiva
    Ebadi-Nia, Leila
    Khatamifar, Ehsan
    Aghaee, Ali
    [J]. BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2011, 32 (01): : 213 - 218
  • [4] THE MEAN THERMODYNAMIC ACTIVITY OF CUSO4 IN THE TERNARY-SYSTEMS - CUSO4 + MGSO4 + H2O AND CUSO4 + MNSO4 + H2O
    STERNBERG, S
    DRAGANOIU, M
    [J]. REVUE ROUMAINE DE CHIMIE, 1985, 30 (03) : 209 - 215
  • [5] Catalysis of CuSO4 for total organic carbon detection based on supercritical water oxidation
    Zhang Hui
    Han Dongdong
    Chen Yi
    Lin Chunmian
    [J]. WATER SCIENCE AND TECHNOLOGY, 2016, 74 (02) : 295 - 301
  • [6] CU(OH)2, CUSO4 AND ANTIBIOTICS IN GROWER RATION
    MILLER, ER
    HITCHCOC.JP
    KU, PK
    ULLREY, DE
    [J]. JOURNAL OF ANIMAL SCIENCE, 1973, 37 (01) : 287 - 287
  • [7] Hydrogen bond and exchange interaction in the (CuSO4)(en)•2H2O and (CuSO4)(en)•2D2O organometallic compounds
    Kravchina, O. V.
    Kaplienko, A. I.
    Nikolova, E. P.
    Anders, A. G.
    Ziolkovskii, D. V.
    Orendachova, A.
    Kajnakova, M.
    [J]. RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2011, 5 (02) : 209 - 214
  • [8] Hydrogen bond and exchange interaction in the (CuSO4)(en)·2H2O and (CuSO4)(en)·2D2O organometallic compounds
    O. V. Kravchina
    A. I. Kaplienko
    E. P. Nikolova
    A. G. Anders
    D. V. Ziolkovskii
    A. Orendachova
    M. Kajnakova
    [J]. Russian Journal of Physical Chemistry B, 2011, 5 : 209 - 214
  • [9] The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4•H2O (Poitevinite), CuSO4•3H2O (Bonattite) and CuSO4•5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors
    Ibrahim, Mukaila A.
    Boere, Rene T.
    [J]. NEW JOURNAL OF CHEMISTRY, 2022, 46 (12) : 5479 - 5488
  • [10] EFFECT OF SNCL2 ON THE ACTIVITY AND SELECTIVITY OF PD(II) COMPLEXES IN THE CATALYSIS OF OLEFIN HYDROCARBOXYLATION
    PETROV, ES
    PROTCHENKO, AV
    STAROSELSKAYA, LF
    TEREKHOVA, MI
    [J]. ZHURNAL OBSHCHEI KHIMII, 1987, 57 (08): : 1802 - 1806
12345