A dihydrogen bond between a bridging hydride and the NH proton of a coordinated dimethylamine: solid state, solution and theoretical characterization

Panigati, Monica; Mercandelli, Pierluigi; D’Alfonso, Giuseppe; Beringhelli, Tiziana; Sironi, Angelo

doi:10.1016/j.jorganchem.2004.12.003

Cited by 3 publications

(2 citation statements)

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“…In a research paper, Alkorta et al 191 have declared some tenuous differences between hydrogen bonds, dihydrogen bonds, and hydride bonds. [192][193][194][195][196][197][198][199][200][201][202][203] Namely, dihydrogen bonds are considered apart or even a special case of hydrogen bonds, whereas hydride bonds are formerly an opposite hydrogen bond. In order to ensure some theoretical insights about these interaction types, it seems to be fundamental that two basic features should be compulsorily obeyed in any kind of analysis:…”

Section: Introductionmentioning

confidence: 99%

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds

Oliveira

2013

Phys. Chem. Chem. Phys.

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In this paper, the intermolecular structural study asserted by the vibrational analysis in the stretch frequencies of hydrogen bonds (π···H) and dihydrogen bonds (H(-δ)···H(+δ)) have definitively been revisited by means of calculations carried out by Density Functional Theory (DFT) and topological parameters derived from the classic treatise of the Quantum Theory of Atoms in Molecules (QTAIM). As a matter of fact the π···H hydrogen bond is formed between the hydrofluoric acid and the C≡C bond of the acetylene, but the QTAIM calculations revealed a distortion in this interaction due to the formation of the ternary complex C(2)H(2)···2(HF). Although the π bonds of ethylene (C(2)H(4)), propylene (C(2)H(3)(CH(3))), and t-butylene (C(2)H(2)(CH(3))(2)) are considered proton acceptors, two hydrogen-bond types--π···H and C···H--can be observed. Over and above the analysis of the π hydrogen bonds, theoretical arguments also were used to discuss the red-shifts in the stretch frequencies of the binary dihydrogen complexes formed by BeH(2)···HX with X = F, Cl, CN, and CCH. Although a vibrational blue-shift in the stretch frequency of the H-C bond of HCF(3) due to the formation of the BeH(2)···HCF(3) dihydrogen complex was obtained, unmistakable red-shifts were detected in LiH···HCF(3), MgH(2)···HCF(3), and NaH···HCF(3). Moreover, the alkali-halogen bonds were identified in relation to the formation of the trimolecular systems NaH···2(HCF(3)) and NaH···2(HCCl(3)). At last, theoretical calculations and QTAIM molecular integrations were used to study a novel class of dihydrogen-bonded complexes (mC(2)H(5)(+)···nMgH(2) with m = 1 or 2 and n = 1 or 2) based in the insight that MgH(2) can bind with the non-localized hydrogen H(+δ) of the ethyl cation (C(2)H(5)(+)). In an overview, QTAIM calculations were applied to evaluate the molecular topography, charge density, as well as to interpret the shifted frequencies either to red or blue caused by the formation of the hydrogen bonds and dihydrogen bonds.

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Section: Introductionmentioning

confidence: 99%

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds

Oliveira

2013

Phys. Chem. Chem. Phys.

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“…There is considerable evidence for both of these interactions in the solid-state structures of amine-substituted carbonyl hydride complexes. 50 However, it is difficult to predict the magnitude and direction of the frequency change, especially if both interactions are present. Observation of a CO stretch does support the formation of BP-1- (Table 1A).…”

Section: Resultsmentioning

confidence: 99%

A methods study of immobilization of PONOP pincer transition metal complexes on silica polyamine composites (SPC)

Goni

Rosenberg

Meregude

et al. 2016

Journal of Organometallic Chemistry

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Immobilization of catalytically active transition metal complexes on silica polyamine composite (SPC) surfaces offers many advantages for applications in catalysis particularly for catalyst recovery and reuse. We report here the immobilization of PONOP pincer complexes of Ru, Rh, Ni and Pd on the poly(allylamine) SPC, BP-1 using the Mannich reaction. Three different methods have been investigated for synthesizing the PONOP pincer transition metal complexes on BP-1: 1) direct reaction of the preformed pincer complexes using a two step Mannich reaction; 2) immobilization of the PONOP ligand using the Mannich reaction followed by the addition of a transition metal compound of a given metal; 3) the stepwise construction of PONOP on BP-1 followed by addition of a transition metal compound. The immobilized complexes on BP-1 were characterized by FT-IR, solid-state CPMAS 13 C and 31 P NMR, as well as elemental analysis. Anchoring of the complexes on BP-1 was also evaluated by the metal loading data obtained from the digestion of the loaded composites followed by Atomic Absorption Spectroscopy (AAS) or Inductively Coupled Plasma Atomic Emission Spectroscopy

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Organometallic Tri- and Polynuclear Clusters of Tantalum, Niobium and Group 6 and 7 Transition Metals

Earl

Messerle

2022

Comprehensive Organometallic Chemistry IV

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A dihydrogen bond between a bridging hydride and the NH proton of a coordinated dimethylamine: solid state, solution and theoretical characterization

Cited by 3 publications

References 24 publications

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds

A methods study of immobilization of PONOP pincer transition metal complexes on silica polyamine composites (SPC)

Organometallic Tri- and Polynuclear Clusters of Tantalum, Niobium and Group 6 and 7 Transition Metals

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A dihydrogen bond between a bridging hydride and the NH proton of a coordinated dimethylamine: solid state, solution and theoretical characterization

Cited by 3 publications

References 24 publications

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H−δ⋯H+δdihydrogen bonds

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H−δ⋯H+δdihydrogen bonds

A methods study of immobilization of PONOP pincer transition metal complexes on silica polyamine composites (SPC)

Organometallic Tri- and Polynuclear Clusters of Tantalum, Niobium and Group 6 and 7 Transition Metals

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Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds

Structure, energy, vibrational spectrum, and Bader's analysis of π⋯H hydrogen bonds and H^−δ⋯H^+δdihydrogen bonds