晶体结构中单配位金属化合物

DJ_Tokyo

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晶体结构中单配位金属化合物

案例1：CCDC [1]: 1221462–1221463，来自文献“Haubrich, S. T.; Power, P. P. Monomeric InC6H3-2,6-Trip2(Trip = -C6H2-2,4,6-i-Pr3) and ItsManganese Complex (η5-C5H5)(CO)2MnInC6H3-2,6-Trip2: One-Coordinate Indium in the Solid State. J. Am. Chem. Soc. 1998,120, 2202–2203. DOI [2]: 10.1021/ja973479c.”，利用氯化亚铟 [3]（InCl, Indium(I) chloride, CAS: 13465-10-6; 1592322-1592325 [3a], 1596966 [3b], 1601508 [3c], 1619046 [3d], 1735799 [3e]）和(Et2O)LiC6H3-2,6-Trip2[4]（CCDC:1316323）在四氢呋喃（THF, tetrahydrofuran,CAS: 109-99-9）中反应，分离得到单配位铟化合物InC6H3-2,6-Trip2，如图1所示（反应式由ChemBioDraw [5]绘制，晶体结构图由Olex2 [6]绘制）

▲图1 单配位铟化合物InC6H3-2,6-Trip2合成及其结构

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案例2：CCDC: 100750，来自文献“Niemeyer, M.; Power, P. P. Synthesis andSolid-State Structure of 2,6-Trip2C6H3Tl (Trip= 2,4,6-iPr3C6H2): AMonomeric Arylthallium(I) Compound with a Singly Coordinated Thallium Atom. Angew.Chem. Int. Ed. 1998, 37, 1277–1279. DOI: 10.1002/(SICI)1521-3773(19980518)37:9<1277::AID-ANIE1277>3.0.CO;2-1.”，利用氯化铊 [8]（TlCl, Thallium chloride,CAS: 7791-12-0; CCDC: 1592744 [8a], 1593319 [8b], 1604120 [8c], 1614259 [8d], 1618488 [8e], 1625028 [8f], 1625034 [8g], 1666768 [8h], 2396208 [8i], 2435686 [8j], 1691178 [8k], 1925004 [8l], 2149387 [9o]）和(Et2O)LiC6H3-2,6-Trip2在乙醚（DEE, diethyl ether, CAS: 60-29-7）中反应，脱去氯化锂 [9]（LiCl, Lithium chloride, CAS: 7447-41-8; CCDC:1602281 [9a], 1603135 [9b], 1613689 [9c], 1617009 [9d], 1618455 [9e], 1769616 [9f], 1931236 [9g], 1931256 [9h], 1931272 [9i], 1933342 [9j], 1933782 [9k], 2139843 [9l], 2140735 [9m], 2148715 [9n], 2149270 [9o], 2230174 [9p], 2231177 [9q], 2275482 [9r], 2399735 [9s], 2439699–2439766 [9t], 2438778–2439802 [9t], 2461276–2461284 [9u], 2462366 [9v], 2462478 [9w], 2338831 [9x]）得到单配位铊化合物TlC6H3-2,6-Trip2，如图2所示。

▲图2 单配位铊化合物TlC6H3-2,6-Trip2合成及其结构

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案例3：CCDC: 262530–262531，来自文献“Dias, H. V. R.; Singh, S.; Cundari, T. R. MonomericThallium(I) Complexes of Fluorinated Triazapentadienyl Ligands. Angew. Chem.Int. Ed. 2005, 44, 4907–4910. DOI:10.1002/anie.200500401.”，利用乙醇铊(I)（TlOEt, Thallium(I)ethoxide, CAS: 20398-06-5）与HN[C(C3F7)N(Mes)]2 [10]（CCDC: 294154–294155; Mes =mesityl/2,4,6-trimethylphenyl/2,4,6-Me3C6H2）或HN[C(C3F7)N(dipp)]2 [11]（CCDC: 252863; dipp = 2,6-Diisopropylphenyl/2,6-iPr2C6H3）反应，脱去乙醇（EtOH, ethanol, CAS: 64-17-5），分别得到单配位铊化合物TlN[C(C3F7)N(Mes)]2（CCDC 262530）和TlN[C(C3F7)N(dipp)]2（CCDC 262531），如图3所示。

▲图3 单配位铊化合物TlN[C(C3F7)N(Mes)]2与TlN[C(C3F7)N(dipp)]2合成及其结构

案例4：CCDC: 274254，来自文献“Wright, R. J.; Brynda, M.; Power, P. P. AMonomeric Thallium(I) Amide in the Solid State:  Synthesis and Structure ofTlN(Me)ArMes2 (ArMes2 = C6H3-2,6-Mes2).Inorg. Chem. 2005, 44, 3368–3370. DOI: 10.1021/ic0500255.”，利用氯化铊和[LiN(Me)ArMes2]2 [12]（CCDC:285860; ArMes2 = C6H3-2,6-(C6H2-2,4,6-Me3)2）在乙醚中反应，分离得到单配位铊化合物TlN(Me)ArMes2，如图4所示。

▲图4 单配位铊化合物TlN(Me)ArMes2合成及其结构

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案例5：CCDC: 628224，来自文献“Quasi-Isomeric Gallium Amides and Imides GaNR2and RGaNR (R = Organic Group): Reactions of the Digallene, Ar'GaGaAr'(Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)with Unsaturated Nitrogen Compounds. J. Am. Chem. Soc. 2006, 128,12498–12509. DOI: 10.1021/ja063072k.”，利用"GaI" [13]与LiN(SiMe3)ArMes2 [12]在甲苯（Toluene,CAS: 108-88-3）中反应，分离得到单配位镓化合物GaN(SiMe3)ArMes2，如图5所示。

▲图5 单配位镓化合物GaN(SiMe3)ArMes2合成及其结构

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案例6：CCDC: 725728–725729，来自文献“Zhu, Z.; Fischer, R. C.; Ellis, B. D.;Rivard, E.; Merrill, W. A.; Olmstead, M. M.; Power, P. P.; Guo, J. D.; Nagase,S.; Pu, L. Synthesis, Characterization and Real Molecule DFT Calculations forNeutral Organogallium(I) Aryl Dimers and Monomers: Weakness of Gallium–GalliumBonds in Digallenes and Digallynes. Chem. Eur. J. 2009, 15,5263–5272. DOI: 10.1002/chem.200900201.”，利用"GaI" [13]与(Et2O)LiAr*-3,5-iPr2（Ar*-3,5-iPr2 = C6H-2,6-(C6H2-2,4,6-iPr3)2-3,5-iPr2）或(Et2O)LiAr'-3,5-iPr2（Ar'-3,5-iPr2= C6H-2,6-(C6H2-2,6-iPr2)2-3,5-iPr2）在甲苯中反应，分别得到单配位镓化合物GaAr*-3,5-iPr2（CCDC: 725728 for GaAr*-3,5-iPr2·2.9C6H6）和GaAr'-3,5-iPr2（CCDC: 725729），如图6所示。

▲图6 单配位镓化合物GaAr*-3,5-iPr2与GaAr'-3,5-iPr2合成及其结构

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案例7：CCDC: 2026034，来自文献“Queen, J. D.; Lehmann, A.; Fettinger, J. C.;Tuononen, H. M.; Power, P. P. The Monomeric Alanediyl :AlAriPr8(AriPr8 = C6H‑2,6-(C6H2‑2,4,6-Pri3)2‑3,5-Pri2):An Organoaluminum(I) Compound with a One-Coordinate Aluminum Atom. J. Am.Chem. Soc. 2020, 142, 20554–20559. DOI: 10.1021/jacs.0c10222.”，利用[LiAlH3AriPr8][14]与碘甲烷（CH3I, Iodomethane, CAS: 74-88-4）在乙醚中反应脱去碘化锂（LiI, LithiumIodide, CAS: 10377-51-2; CCDC: 1603137 [9b], 1613691 [9c], 1614123 [15a], 1618457 [9e], 1728962 [15b], 1728964 [15b], 1769618 [9f], 1932450 [15c], 1933344 [9j], 2139845 [9l], 2140737 [9m], 2149272 [9o], 2275484 [9r], 2461293–2461297 [9u], 2461299–2461300 [9u]）生成的AlI2AriPr8（CCDC: 2026033）和5% w/w Na/NaCl在己烷（hexane, CAS: 110-54-3）中反应（三价铝还原为一价铝），脱去碘化钠（NaI, Sodiumiodide,CAS: 7681-82-5; 1613695 [9c], 1617013 [9d], 1618460 [9e], 1625013–1625015 [16a], 1769622 [9f], 1933347 [9j], 1934317 [16b], 1934333 [16b], 1934349 [16b], 2140741 [9m], 2149304 [9o], 2200590 [16c], 2462742 [16d], 2338832 [16e]）生成单配位铝化合物AlAriPr8（CCDC: 2026034 for AlAriPr8·3C6H6），如图7所示。

▲图7 单配位铝化合物AlAriPr8合成及其结构

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案例8：CCDC: 903988–903991，来自文献“Dange, D.; Li, J.; Schenk, C.; Schnöchel, H.;Jones, C. Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination ThroughExtreme Ligand Steric Bulk. Inorg. Chem. 2012, 51, 13050–13059.DOI: 10.1021/ic3022613.”，利用HN(dbmp)SiR3 [17]（dbmp = 2,6-dibenzhydryl-4-methylphenyl, R =Me(CCDC: 822598), Ph(CCDC: 822603)）与正丁基锂 [18]（nBuLi, n-Butyllithium, CAS: 109-72-8, CCDC: 1263904）反应得到的LiN(dbmp)SiR3 [17]（R = Me(CCDC: 822594 for (Et2O)LiN(dbmp)SiMe3 and CCDC: 822595 for (THF)LiN(dbmp)SiMe3), Ph）和[{GaICl(THF)}n] [19]或溴化铊（TlBr, Thallium bromide, CAS: 7789-40-4; CCDC: 1614260 [8d], 1618489 [20a], 1625029 [8f], 1625042 [8g], 1666769 [20b], 2396209 [8i], 1691179 [8k], 1933368 [9j], 2276612 [20c]）反应，分别得到单配位镓化合物GaN(dbmp)SiR3（R = Me(CCDC: 903988), Ph(CCDC: 903989)）和单配位铊化合物TlN(dbmp)SiR3（R = Me(CCDC: 903991), Ph），其中GaN(dbmp)SiMe3亦可通过碘单质（I2, Iodine, CAS: 7553-56-2）与过量金属镓（Ga, Gallium, CAS: 7440-55-3）反应得到的"GaI"和LiN(dbmp)SiMe3反应制备；利用HN(dbmp)SiMe3与六甲基二硅胺钾 [21]（KHMDS/[KN(SiMe3)2], Potassiumhexamethyldisilazide, CAS: 40949-94-8, CCDC: 1282575 [21a], 2340244 [21b]）在四氢呋喃中反应，后用甲苯萃取得到的(η6-tol)KN(dbmp)SiMe3和溴化亚铟（InBr, Indium(I) bromide, CAS: 14280-53-6; CCDC: 1599277[22], 1619505–1619510 [20b]）在四甲基乙二胺（tmeda, N,N,N',N'-Tetramethylethylenediamine,CAS: 110-18-9）和甲苯混合溶剂中反应，分离得到单配位铟化合物InN(dbmp)SiMe3（CCDC: 903990），如图8所示。

▲图8 单配位镓、铟和铊化合物MN(dbmp)SiR3（M = Ga, In, Tl; R = Me, Ph）合成及其结构

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案例9：CCDC: 2105194, 2108299，分别来自文献“Zhang, X.; Liu, L. L. A Free Aluminylene withDiverse σ-Donating and Doubly σ/π-Accepting Ligand Features for TransitionMetals. Angew. Chem. Int. Ed. 2021, 60, 27062–27069. DOI: 10.1002/anie.202111975. Angew. Chem. Int. Ed. 2022, 61,e202207892. DOI: 10.1002/anie.202207892.”和“Hinz, A.; Müller, M. P. Attempted Reduction of aCarbazolyl-Diiodoalane. Chem. Commun. 2021, 57,12532–12535. DOI: 10.1039/d1cc05557g.”，前者利用AlI2ArtBu6（CCDC: 2105193; ArtBu6= 3,6-di-tert-butyl-1,8-bis(3,5-di-tert-butylphenyl)-9H-carbazol-9-yl）与K/KI (5%)在甲苯中反应（三价铝还原为一价铝），脱去碘化钾（KI, Potassium Iodide, CAS: 7681-11-0; CCDC:1598939 [23a], 1613698 [9c], 1617017 [9d], 1618464 [23b], 1618479 [23c], 1625064 [23d], 1625160 [23e], 2435685 [8j], 1933351 [9j], 1934313 [16b], 1934329 [16b], 1934345 [16b], 2139841 [9l], 2149255 [9o], 2200584 [16c], 2338830 [23f]），分离得到单配位铝化合物AlArtBu6（CCDC: 2105194），后者利用AlI2ArtBu6（CCDC: 2108296, 2108297 for AlI2ArtBu6·C6H6）和八碳化钾（KC8，参阅推文“文献|KC8”）反应，脱去碘化钾，分离得到单配位铝化合物AlArtBu6（2108299），如图9所示。

▲图9 单配位铝化合物AlArtBu6合成及其结构

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案例10：CCDC: 2225002，来自文献“Pang, Y.; Nöthling, N.; Leutzsch, M.; Kang,L.; Bill, E.; van Gastel M.; Reijerse, E.; Goddard, R.; Wagner, L.; Santalucia,D.; Debeer, S.; Neese, F.; Cornella, J. Synthesis And Isolation of A TripletBismuthinidene With A Quenched Magnetic Response. Science 2023, 380,1043–1048. DOI: 10.1126/science.adg2833.”，利用MsFluind-BiCl2（CCDC:2225003 for MsFluind-BiCl2·THF; MsFluind = dispiro[fluorene-9,3'-(1',1',7',7'-tetramethyl-s-hydrindacen-4'-yl)-5',9"-fluorene];THF = tetrahydrofuran, CAS: 109-99-9）与二茂钴（Cp2Co, Cobaltocene, CAS: 1277-43-6）反应，得到的是含Bi=Bi双键的[MsFluind-Bi(I)]2（CCDC: 2225005），而利用位阻更大的tBu-MsFluind-BiBr2（CCDC: 2225004 for MsFluind-BiBr2·THF; tBu-MsFluind= 2,2'',7,7''-tetra-tert-butyl-3',3',5',5'-tetramethyl-2',3',5',6'-tetrahydrodispiro[fluorene-9,1'-s-indacene-7',9''-fluoren]-8'-yl）与二茂钴反应，成功分离得到单配位铋化合物tBu-MsFluind-Bi(I)（CCDC: 2225002），如图10所示。

▲图10 单配位铋化合物tBu-MsFluind-Bi(I)合成及其结构

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案例11：CCDC: 2125009，来自文献“Wang, D.; Zhai, C.; Chen, Y.; He, Y.; Chen,X.-D.; Wang, S.; Zhao, L.; Frenking, G.; Wang, X.; Tan, G. An IsolableGermylyne Radical With A One-Coordinate Germanium Atom. Nat. Chem. 2023,15, 200–205. DOI: 10.1038/s41557-022-01081-1.”，利用MsFluid*-Li(THF)2与锗(II)氯化二噁烷络合物（GeCl2(dioxane), Germanium(II) chloride dioxane complex, CAS: 28595-67-7）在四氢呋喃中反应脱去氯化锂得到的MsFluid*-GeCl（CCDC: 2125008 for MsFluid*-GeCl·C6H14）和八碳化钾反应（二价锗被还原为一价锗），脱去氯化钾（KCl, Potassium chloride, CAS: 7447-40-7; CCDC:1597582 [24a], 1598937 [23a], 1774219 [24b],1603972–1603980 [24b], 1605380 [24c], 1613696 [9c], 1617015 [9d], 1618462 [23b], 1618477 [24d], 1624034 [24e], 1625066 [23d], 2435683 [8j], 1670877 [24f], 1679102 [24g], 1681608 [24h], 1696330–1696336 [24i], 1711168–1711194 [24j], 1722653–1722688 [24k], 1769572–1769575 [24l], 1931269 [9i], 1932448 [15c], 1933349 [9j], 1934311 [16b], 1934327 [16b], 1934343 [16b], 2139839 [9l], 2149253 [9o], 2200582 [16c], 2200653 [24m], 2275893 [24n], 2399916 [24o], 2400292 [24p], 2338829 [24q]）得到单配位锗化合物MsFluid*-Ge，如图11所示。

▲图11 单配位锗化合物MsFluind*-Ge合成及其结构

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案例12：CCDC: 2227158–2227159，来自文献“Wu, M.; Chen, W.; Wang, D.; Chen, Y.; Ye, S.;Tan, G. Triplet Bismuthinidenes Featuring Unprecedented Giant and Positive ZeroField Splittings. Natl. Sci. Rev. 2023, 10, nwad169. DOI: 10.1093/nsr/nwad169.”，利用MsFluidtBu-Li(THF)2或MsFluid*-Li(THF)2和三氯化铋（BiCl3, Bismuth(III) chloride, CAS: 7787-60-2; CCDC: 1592665 [25a], 1610974 [25b]）反应脱去氯化锂得到的MsFluidtBu-BiCl2或MsFluid*-BiCl2和在八碳化钾作用下脱去氯化钾得到单配位铋化合物MsFluidtBu-Bi和MsFluid*-Bi，如图12所示。

▲图12 单配位铋化合物MsFluidtBu-Bi和MsFluid*-Bi合成及其结构

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案例13：CCDC: 2203582–2203583, 2260728，来自文献“Wu, M.; Li, H.; Chen, W.; Wang, D.; He, Y.;Xu, L.; Ye, S.; Tan, G. A Triplet Stibinidene. Chem 2023, 9,2573–2584. DOI: 10.1016/j.chempr.2023.05.005.”，利用MsFluidtBu-SbCl2（CCDC: 2203580）与八碳化钾反应脱去氯化钾得到的是含Sb=Sb双键的MsFluidtBu-Sb=Sb-MsFluidtBu（CCDC: 2203581），当使用位阻更大的配体，即MsFluid*-SbBr2作为反应原料时，成功得到单配位锑化合物MsFluid*-Sb（CCDC: 2203582 for MsFluid*-Sb·C6H14at 120 K, 2203583 for MsFluid*-Sb·C6H14 at 150 K, 2260728for MsFluid*-Sb·C6H14 at 110 K），如图13所示。

▲图13 单配位锑化合物MsFluid*-Sb合成及其结构

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案例14：CCDC: 2224319，来自文献“Wang, D.; Chen, W.; Zhai, C.; Zhao, L.; Ye,S.; Tan, G. Monosubstituted Doublet Sn(I) Radical Featuring Substantial UnquenchedOrbital Angular Momentum. J. Am. Chem. Soc. 2023, 145,6914−6920. DOI: 10.1021/jacs.3c00421.”，利用MsFluid*-SnBr（CCDC: 2224318）和八碳化钾在四氢呋喃中反应，脱去溴化钾得到单配位锡化合物MsFluid*-Sn（CCDC:2224319 for MsFluid*-Sn·C6H14），如图14所示。

▲图14 单配位锡化合物MsFluid*-Sn合成及其结构

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案例14：CCDC: 2329154，来自文献“Chen, H.; Chen, W.; Wang, D.; Chen, Y.; Liu,Z.; Ye, S.; Tan, G.; Gao, S. An Isolable One-Coordinate Lead(I) Radical withStrong g-Factor Anisotropy. Angew. Chem. Int. Ed. 2024, 63,e202402093. DOI: 10.1002/anie.202402093.”，利用MsFluid*-PbBr（CCDC: 2329153for MsFluid*-PbBr·C7H8）和八碳化钾在四氢呋喃中反应，脱去溴化钾得到单配位铅化合物MsFluid*-Pb（CCDC:2329154 for MsFluid*-Pb·C6H14），如图15所示。

▲图15 单配位铅化合物MsFluid*-Pb合成及其结构

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案例15：CCDC: 2496753，来自文献“García-Romero, Á.; Pink, M.; Fernández, I.;Goicoechea, J. M. A Crystalline Mono-Coordinate Indium(I)-Phosphaalkenyl. Angew.Chem. Int. Ed. 2026, e23125. DOI: 10.1002/anie.202523125.”，利用(InTer)2 [26]（CCDC: 191190; Ter = 2,6-Dipp2-C6H3;Dipp = 2,6-diisopropylphenyl）与1-金刚烷基膦杂乙炔（Ad-C≡P; 1-Adamantylphosphaethyne;CAS: 101055-70-3; Ad = Adamantyl）在甲苯中于零下78摄氏度反应，分离得到单配位铟化合物In[C(Ad)=PTer]（CCDC:2496753），如图16所示。

▲图16 单配位铟化合物In[C(Ad)=PTer]合成及其结构

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综上所述，截至本文文稿（2026年2月16日），文献已报道的单配位金属化合物包含铝（Al）、镓（Ga）、锗（Ge）、铟（In）、锡（Sn）、锑（Sb）、铊（Tl）、铅（Pb）和铋（Bi）等九种金属。（如有遗漏，欢迎补充。）

参考文献

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