Synthesis, characterization, and hydrolysis products of (eta(2)-tBu(2)pz)AlH(mu :eta(1),eta(1)-tBu(2)pz)(2)AlH2 - Structural characterization of a complex containing eta(1)-, eta(2)-, and mu :eta(1),eta(1)-pyrazolato ligands and a complex containing a terminal hydroxo ligand
文献类型：期刊论文
| 作者 | Yu, ZK; Knox, JE; Korolev, AV; Heeg, MJ; Schlegel, HB; Winter, CH |
| 刊名 | european journal of inorganic chemistry
 |
| 出版日期 | 2005-01-21 |
| 期号 | 2页码:330-337 |
| 关键词 | hydrogen bond N ligands aluminum pyrazolato ligands molecular orbital calculations |
| 英文摘要 | treatment of alane-ethyldimethylamine with 3,5-di-tert-butylpyrazole (tbu(2)pzh) in a 2:3 molar ratio afforded [(eta(2)-tbu(2)pz)alh( mu:eta(1),eta(1)-tbu(2)pz)(2)alh2] in 57% yield. hydrolysis of [(eta(2)-tbu(2)pz)alh(mu:eta(1),eta(1)-tbu(2)pz)(2)alh2] afforded variable mixtures of al(tbu(2)pz)(3), [(eta(2)-tbu(2)pz)alh(mu:eta(1),eta(1)-tbu(2)pz)(2)alh(oh)], and [(eta(2)-tbu(2)pz)alh(mu:eta(1), eta(1)-tbu(2)pz)(2)alh(eta(1)-tbu(2)pz)]. the structures of all new complexes were assigned from spectral and analytical data. in addition, the x-ray crystal structures of [(eta(2)-tbu(2)pz)alh(mu:eta(1),eta(1)-tbu(2)pz)(2)alh(oh)] and [(eta(2)-tbu(2)pz)alh(mu:eta(1), eta(1)-tbu(2)pz)(2)alh(eta(1)-tbu(2)pz)] were determined. [(eta(2)-tbu(2)pz)alh(mu:eta(1), eta(1)-tbu(2)pz)(2)alh(oh)] crystallizes as a dimeric molecule, and contains two bridging pyrazolato ligands, one eta(2)-pyrazolato ligand, as well as terminal hydrido and hydroxo ligands. the hydroxo and eta(2)-pyrazolato ligands possess a syn-relationship within the dimer. the hydroxy group proton does not participate in dihydrogen bonding, and instead appears to be intramolecularly hydrogen- bonded to the pi-cloud of the eta(2)-pyrazolato ligand. the overall structure of [(eta(2)-tbu(2)pz)alh(p:eta(1), eta(1)-tbu(2)pz)(2)alh(eta(1)-tbu(2)pz)] is very similar to that of [(eta(2)-tbu(2)pz)alh(p:eta(1),eta(1)-tbu(2)pz)(2)alh(oh)], except that the eta(1)- and eta(2)-pyrazolato ligands have an anti-disposition within the dimer. molecular orbital calculations were carried out on [(eta(2)- tbu(2)pz)alh(p:eta(1),eta(1)-tbu(2)pz)2alh(oh)] to understand the hydrogen bonding and the eta(2)-pyrazolato ligand coordination. the calculations predict that there is a 1.4 kcal/mol energy difference between eta(1)- and eta(2)-pyrazolato ligand coordination, which implies that the observed eta(2)-pyrazolato ligand occurs due to accommodation of the bulky tert-butyl groups. the intramolecular hydrogen bond between the hydroxo ligand proton and the pi-cloud of the eta(2)-pyrazolato ligand is estimated to have a bond strength of 3.7 kcal/mol. ((c) wiley-vch verlag gmbh & co. kgaa, 69451 weinheim, germany, 2005) |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, inorganic & nuclear |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | pyrazole-derived ligands ; eta(2)-pyrazolato ligands ; organometallic complexes ; coordination chemistry ; aluminum dichloride ; molecular-structure ; tert-butylaluminum ; crystal-structures ; alumoxane hydride ; derivatives |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000227032900011 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/139851]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 2.Wayne State Univ, Dept Chem, Detroit, MI 48202 USA |
| 推荐引用方式 GB/T 7714 | Yu, ZK,Knox, JE,Korolev, AV,et al. Synthesis, characterization, and hydrolysis products of (eta(2)-tBu(2)pz)AlH(mu :eta(1),eta(1)-tBu(2)pz)(2)AlH2 - Structural characterization of a complex containing eta(1)-, eta(2)-, and mu :eta(1),eta(1)-pyrazolato ligands and a complex containing a terminal hydroxo ligand[J]. european journal of inorganic chemistry,2005(2):330-337. |
| APA | Yu, ZK,Knox, JE,Korolev, AV,Heeg, MJ,Schlegel, HB,&Winter, CH.(2005).Synthesis, characterization, and hydrolysis products of (eta(2)-tBu(2)pz)AlH(mu :eta(1),eta(1)-tBu(2)pz)(2)AlH2 - Structural characterization of a complex containing eta(1)-, eta(2)-, and mu :eta(1),eta(1)-pyrazolato ligands and a complex containing a terminal hydroxo ligand.european journal of inorganic chemistry(2),330-337. |
| MLA | Yu, ZK,et al."Synthesis, characterization, and hydrolysis products of (eta(2)-tBu(2)pz)AlH(mu :eta(1),eta(1)-tBu(2)pz)(2)AlH2 - Structural characterization of a complex containing eta(1)-, eta(2)-, and mu :eta(1),eta(1)-pyrazolato ligands and a complex containing a terminal hydroxo ligand".european journal of inorganic chemistry .2(2005):330-337. |
入库方式： OAI收割
来源：大连化学物理研究所
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