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141 条记录 (耗时 0.024 秒)

    Methods of Discovering or Developing Novel Materials and Molecules
    62.
    发明申请
    Methods of Discovering or Developing Novel Materials and Molecules 审中-公开
    发现或开发新材料和分子的方法

    公开(公告)号：US20110166039A1

    公开(公告)日：2011-07-07

    申请号：US11628258

    申请日：2005-06-03

    申请人： Yongchun Tang ,  William A. Goddard, III ,  Roy Periana

    发明人： Yongchun Tang ,  William A. Goddard, III ,  Roy Periana

    IPC分类号： C40B30/08

    CPC分类号： B01J31/1815 ,  B01J31/2226 ,  B01J31/2234 ,  B01J31/2243 ,  B01J31/226 ,  B01J2231/46 ,  B01J2231/70 ,  B01J2531/008 ,  B01J2531/0244 ,  B01J2531/827 ,  B01J2540/22

    摘要： The present inventions relates to methods of discovering or developing novel material or compound. In particular, the methods include the steps of using of general expert knowledge to identify currently available molecules, setting forth desired properties for a target molecule, designing a set of test molecule from the currently available molecule using computational methods (the test molecules having desired properties in the computational models); synthesizing the test molecules, testing the test molecules in real experiments, and identifying the target molecule which is the test molecule that has the desired properties.

    摘要翻译： 本发明涉及发现或开发新材料或化合物的方法。 特别地，所述方法包括以下步骤：使用一般专家知识来鉴定当前可用的分子，为靶分子确定所需的性质，使用计算方法（所述测试分子具有所需性质）从当前可用分子设计一组测试分子 在计算模型中）; 合成测试分子，在实验中测试测试分子，并鉴定作为具有所需性质的测试分子的靶分子。

    Polymeric Salts and Poly-NHC-Metal Complexes
    63.
    发明申请
    Polymeric Salts and Poly-NHC-Metal Complexes 有权
    聚合盐和聚NHC-金属络合物

    公开(公告)号：US20090227740A1

    公开(公告)日：2009-09-10

    申请号：US12295716

    申请日：2006-07-05

    申请人： Jackie Y. Ying ,  Yugen Zhang ,  Dingyu Hu ,  Pranab K. Patra

    发明人： Jackie Y. Ying ,  Yugen Zhang ,  Dingyu Hu ,  Pranab K. Patra

    IPC分类号： C08F226/06

    CPC分类号： C08G73/0611 ,  B01J31/1691 ,  B01J31/2273 ,  B01J2231/4211 ,  B01J2531/0244 ,  B01J2531/17 ,  B01J2531/824 ,  C08G61/123 ,  C08G61/124 ,  C08G83/00

    摘要： The invention provides a polymeric salt, wherein the monomer unit of the polymeric salt comprises two nitrogen containing heterocyclic groups joined by a rigid linker group. The nitrogen atoms of the heterocyclic groups are disposed so as to enable a polymeric carbene formed by from the polymeric salt to complex with a metal atom. The invention also provides a polymeric metal complex which may be made from the polymeric salt, and which may be used in a Suzuki coupling reaction. The polymeric salt may be used as a heterogeneous organic catalyst for cyanation reaction.

    摘要翻译： 本发明提供一种聚合物盐，其中聚合物盐的单体单元包含两个通过刚性连接基团连接的含氮杂环基团。 这些杂环基的氮原子被设置成能够使由聚合物盐形成的聚合卡宾与金属原子复合。 本发明还提供了可以由聚合物盐制成并可用于Suzuki偶联反应的聚合物金属络合物。 聚合盐可用作用于氰化反应的非均相有机催化剂。

    Alkane and alkane group dehydrogenation with organometallic catalysts
    65.
    发明申请
    Alkane and alkane group dehydrogenation with organometallic catalysts 失效
    烷烃和烷烃基团脱氢与有机金属催化剂

    公开(公告)号：US20040116727A1

    公开(公告)日：2004-06-17

    申请号：US10469960

    申请日：2004-02-03

    发明人： Avtandil Koridze

    IPC分类号： C07F017/02

    CPC分类号： B01J31/24 ,  B01J31/1895 ,  B01J31/2295 ,  B01J31/2404 ,  B01J2231/766 ,  B01J2531/0244 ,  B01J2531/821 ,  B01J2531/822 ,  B01J2531/825 ,  B01J2531/827 ,  B01J2531/842 ,  C07F17/02 ,  Y10S420/90

    摘要： Novel polynuclear organometallic complexes useful as catalysts for the reversible deshydrogenation of alkanes and alkane group are disclosed. The novel compounds comprise a first transition, a second transition metal p-bonded to an null5-aromatic ligand, and a pincer ligand. The pincer ligand comprises a 6p-electron aromatic ring having at least 2 ring atoms in an 1, 3 relationship bonded each to a neutral Lewis base through a bridge, the bridge being a diradical. The pincer ligand binds the first transition metal through each of the Lewis bases and through the ring atom adjacent to both Lewis bases and p-coordinates the second transition metal through all aromatic ring atoms. The first transition metal may also bond to 2 or 4 hydrogen atoms.

    摘要翻译： 公开了可用作烷烃和烷烃基团可逆脱氢催化剂的新型多核有机金属配合物。 新化合物包含第一跃迁，p结合到α5-芳族配体的第二过渡金属和钳制配体。 钳子配体包括具有至少2个环原子的6p电子芳香环，其中1-3个关系通过桥键合到中性路易斯碱，桥是双向的。 钳子配体通过每个路易斯碱结合第一过渡金属，并通过与两个路易斯碱相邻的环原子结合，并通过所有芳环原子p配位第二过渡金属。 第一过渡金属也可以键合到2或4个氢原子。

    Catalysts made from transition metal compounds and 4, 5-diphosphinoacridine-ligands
    68.
    发明授权
    Catalysts made from transition metal compounds and 4, 5-diphosphinoacridine-ligands 失效
    由过渡金属化合物和4,5-二磷酸吖啶配体制成的催化剂

    公开(公告)号：US06290926B1

    公开(公告)日：2001-09-18

    申请号：US09331274

    申请日：1999-06-17

    申请人： Matthias W. Haenel ,  Stefan Hillebrand

    发明人： Matthias W. Haenel ,  Stefan Hillebrand

    IPC分类号： C01B3120

    CPC分类号： C07F15/045 ,  B01J31/189 ,  B01J31/20 ,  B01J2231/12 ,  B01J2231/321 ,  B01J2231/323 ,  B01J2231/4205 ,  B01J2231/52 ,  B01J2231/543 ,  B01J2531/0244 ,  B01J2531/64 ,  B01J2531/822 ,  B01J2531/824 ,  B01J2531/828 ,  B01J2531/847 ,  C07C45/50 ,  C07D219/04 ,  C07F9/64 ,  C07F11/005 ,  C07F15/0066 ,  C07F15/008 ,  C07F15/0093 ,  C07C47/02

    摘要： The present invention relates to the preparation of novel catalysts made from transition metal compounds and “tridentate” 4,5-diphosphinoacridine ligands (“acriphos”). The novel ligands employed herein are diphosphine compounds of 4,5-disubstituted acridine which coordinate transition metals in a three-fold way with the two phosphorus atoms and the acridine nitrogen. The invention also relates to the use of the novel catalysts for the catalysis of carbon monoxide conversion via the water-gas shift reaction (WGSR: CO+H2O→CO2+H2) and for the catalysis of the following reactions: hydroformylation, carbonylation, carboxylation, hydrogenation, hydrocyanogenation, hydrosilylation, polymerization, isomerization, cross-couplings and metathesis. The invention further relates to heretofore unknown syntheses of the 4,5-diphosphinoacridines through the reaction of 4,5-difluoroacridine with alkali metal phosphides [R2P−M+(M+═Li+, Na+, K+, Rb+, Cs+, preferably K+)] or through the reaction of 4,5-dibromoacridine with chlorophosphines (R2PCl) and magnesium, and to the preparation of 4,5-difluoroacridine and 4,5-dibromoacridine.

    摘要翻译： 本发明涉及由过渡金属化合物和“三齿”4,5-二磷酸吖啶配体（“acriphos”）制备的新型催化剂的制备。 本文中使用的新型配体是4,5-二取代吖啶的二膦化合物，其以三重方式与两个磷原子和吖啶氮配位过渡金属。 本发明还涉及新催化剂用于通过水煤气变换反应（WGSR：CO + H 2→CO 2 + H 2）催化一氧化碳转化的用途，并且用于催化下列反应：加氢甲酰化，羰基化， 羧化，氢化，氢氰化，氢化硅烷化，聚合，异构化，交联和复分解。 本发明还涉及通过4,5-二氟吖啶与碱金属磷化物[R2P-M +（M + = Li +，Na +，K +，Rb +，Cs +，优选K +）]的反应的4,5-二磷杂吖啶的未知合成，或 通过4,5-二溴吖啶与氯膦（R2PCl）和镁的反应，以及制备4,5-二氟吖啶和4,5-二溴吖啶。