A Three-Center Hydrogen Bond in 2,6-Diphenylpyridinium Tetrachloroaurate

Yap, Glenn P. A.; Rheingold, Arnold L.; Das, Pampa; Crabtree, Robert H.

doi:10.1021/ic00117a015

Cited by 86 publications

(60 citation statements)

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“…[21] Face-indexed absorption corrections were performed numerically with the program X-RED for 1b and 2. [22] Three oxygen atoms of one ClO 4 -ion in 1b are disordered about two positions [occupancy factors: 0.852(4)/0.148(4)]. SADI (d Cl-O and d O···O ) restraints and EADP constraints were used to model the disorder and for anisotropic refinement.…”

Section: Methodsmentioning

confidence: 99%

“…[1][2][3] Metal-bound chlorido ligands have been identified as a very good hydrogen-bond acceptor (in contrast to its organochlorine counterpart), having the potential to interact with hydrogen-bond donors in both a strong (i.e., short) and anisotropic fashion. [4,5] While hydrogen bonds to metal-bound fluorido ligands are even stronger, they also exhibit a distinct angular preference for larger H···F-M angles. [6] Intermolecular D-H···X-M (D = N, O; X = F, Cl, Br, I) interactions are increasingly applied in molecular recognition, crystal engineering and the noncovalent assembly of metallosupramolecules, [7,8] while intramolecular D-H···X-M motifs involving pendant nonligating hydrogen-bonding groups allow the stabilization of unusual ligands, such as HF, at a metal ion.…”

Section: Introductionmentioning

confidence: 99%

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Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

et al. 2007

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Four dinickel complexes [L1Ni2(μ‐Cl)(Cl)2]·2CH3OH (1a), [L1Ni2(μ‐Cl)(CH3OH)](ClO4)2 (1b), [L2Ni2(μ‐Cl)Cl2(H2O)2]·H2O (2) and [L3Ni2Cl2(CH3OH)2]Cl·2CH3OH (3) were synthesized and structurally characterized. The ligand scaffolds have a central pyrazolato bridge and N‐donor chelate arms that provide two proximate binding pockets for the nickel ions. While the longer ligand side arms in 1a, 1b and 2 induce Ni···Ni distances of around 4.0 Å and favour incorporation of a chlorido bridge within the dimetallic pocket, a stretched Ni···Ni separation of 4.6 Å with an unusual intramolecular Cl···H–O linkage is observed in 3. Various Cl···H–O hydrogen‐bonding motifs are identified in the solid‐state structures of 1–3, where either the H‐donor (MeOH or H2O) or the H‐acceptor (chlorido) or both are bound to a nickel ion, and their relative donor–acceptor distances are discussed. Magnetic coupling mediated through the pyrazolato and chlorido bridges is rather weak and antiferromagnetic, but it is even weaker for the Cl···H–O linkage. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

et al. 2007

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“…Basizit‰ten der freien Elektronenpaare sind unterschiedlich (Schema 3), [73] und XÀH ¥¥¥ ClÀM-Wasserstoffbr¸cken werden in Kristallen meistens ungef‰hr senkrecht zur M-Cl-Bindung gebildet (Winkelbereich 808 ± 1408). [73,74] Als Ausnahme unter den metallgebundenen Halogenatomen weist Fluor ein deutlich isotroperes Verhalten auf.…”

Section: Richtungseigenschaften Des Acceptorsunclassified

“…[75] Das komplizierteste ± und noch nicht vollst‰ndig beschriebene ± Richtungsverhalten weisen die p-Acceptoren auf. [73] telpunkt der Dreifachbindung gerichtet, sie kˆnnen aber auch auf eines der beiden C-Atome zeigen. Die freien Elektronenpaare von metallgebundenen Halogenatomen.…”

Section: Richtungseigenschaften Des Acceptorsunclassified

Die Wasserstoffbrücke im Festkörper

2002

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“…The shorter nature of the hydrogen bond interaction in 4-F is presumably because the interaction, in this case, is with the radially less diffuse sp lone pair of the fluoride ligand. Work by others [34,35] on MϪCl systems, however, has shown a preference for the p-type lone pair to be more basic and interact with a hydrogen-bond donor (angular preference 100Ϫ110°). [35] This type of donor approach is ruled out in this system because of the steric bulk of the ancillary ligand set.…”

Section: The Solid-state Structures Of 4-br 4-cl 4f 4-imentioning

confidence: 99%

Synthesis of [RuX(CO){η²‐C,N‐C₆H₄C(H)=NC₆H₄‐4‐NO₂}(PPh₃)₂] (X = F, Cl, Br, I): Evidence of Non‐Conventional Ru−X Hydrogen Bonds Leading to Octahedral Coordination at the Halide Atom

2003

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Treatment of [RuCl(CO){η2‐C,N‐C6H4C(H)=NC6H4‐4‐NO2}(PPh3)2] (4‐Cl) with Ag[BF4] in acetone/CH2Cl2 gives the cationic complex [Ru{O=C(CH3)2}(CO){η2‐C,N‐C6H4C(H)=NC6H4‐4‐NO2}(PPh3)2][BF4] (not isolated), which then reacts with NaX (X = F, Br, I) to afford the new compounds [RuX(CO){η2‐C,N‐C6H4C(H)=NC6H4‐4‐NO2}(PPh3)2] (X = F, Br, I) (4‐F, 4‐Br, and 4‐I). All of the new compounds have been characterised by elemental analysis (C, H, and N), 1H, 13C{1H}, 31P{1H} NMR spectroscopy and IR spectroscopy. The IR data support the hypothesis that the fluoride ligand is the strongest halogen π‐donor to the metal centre. In addition, the compounds 4‐Br·1.5CHCl3, 4‐Cl·1.5CHCl3, 4‐F·2CDCl3, and 4‐I·1.5CHCl3 have been characterised by single‐crystal X‐ray diffraction studies; all show Ru−X···HCCl3 interactions with the Ru−F interaction being the strongest. In addition, there is evidence for the presence of competing RuX···ClCHCl2 (X = Cl, Br) interactions in compounds 4‐Br and 4‐Cl; these appear to be charge transfer in nature. The generality of these interactions has been probed using searches of the Cambridge Crystallographic Database and the data obtained suggests that these interactions have some, but limited, precedence. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

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A Three-Center Hydrogen Bond in 2,6-Diphenylpyridinium Tetrachloroaurate

Cited by 86 publications

References 0 publications

Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

Die Wasserstoffbrücke im Festkörper

Synthesis of [RuX(CO){η²‐C,N‐C₆H₄C(H)=NC₆H₄‐4‐NO₂}(PPh₃)₂] (X = F, Cl, Br, I): Evidence of Non‐Conventional Ru−X Hydrogen Bonds Leading to Octahedral Coordination at the Halide Atom

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A Three-Center Hydrogen Bond in 2,6-Diphenylpyridinium Tetrachloroaurate

Cited by 86 publications

References 0 publications

Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

Intra‐ and Intermolecular H···Cl–Ni Bonding Patterns in a Series of Highly Preorganized Dinuclear Nickel(II) Complexes

Die Wasserstoffbrücke im Festkörper

Synthesis of [RuX(CO){η2‐C,N‐C6H4C(H)=NC6H4‐4‐NO2}(PPh3)2] (X = F, Cl, Br, I): Evidence of Non‐Conventional Ru−X Hydrogen Bonds Leading to Octahedral Coordination at the Halide Atom

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Synthesis of [RuX(CO){η²‐C,N‐C₆H₄C(H)=NC₆H₄‐4‐NO₂}(PPh₃)₂] (X = F, Cl, Br, I): Evidence of Non‐Conventional Ru−X Hydrogen Bonds Leading to Octahedral Coordination at the Halide Atom