The structural peculiarities and chemical bonding in three organogermanes Cl3GeCH2OC(O)R with rigid coordination centre

Korlyukov, Alexander A.; Komissarov, Eugen A.; Antipin, M. Yu.; Алексеев, Н. В.; Pavlov, K. V.; Krivolapova, O. V.; Lahtin, Valerii G.; Chernyshev, E. A.

doi:10.1016/j.molstruc.2007.04.019

Cited by 15 publications

(8 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The value of V e (r) can be calculated from values of ρ(r) and ∇ 2 ρ(r) in CP(3, −1) using Kirzhnitz formula for kinetic energy density and local virial theorem expression [28,29]. Previously, we used the results of topological analysis for calculations of bond energies formed by the Si(Ge) atoms [30][31][32]. Such estimation is based on the usage of above-mentioned correlation (I).…”

Section: Introductionmentioning

confidence: 99%

Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)

et al. 2015

Self Cite

View full text Add to dashboard Cite

The results of detailed experimental and theoretical study of chemical intra-and intermolecular bonding of salicyl hydrazone complex with SnCl 3 are described. The chemical bonding pattern in the crystal and isolated molecule is described in terms of Bader's "Atoms in Molecules" (AIM) theory. Analysis of AIM charges has revealed that amount of charge transferred from ligand to SnCl 3 moiety is equal to ≈ 0.3 e that leads to significant redistribution of bond lengths as compared to other tin(IV) salicyl hydrazonates. Comparison of geometry and characteristics of electron density distribution indicates the weakening of coordination Sn-O and Sn-N bonds in isolated molecule in comparison with crystal up to 10 kcal/mol. This effect was explained by the intermolecular H···Cl bonding. According to the Hirshfeld surface analysis, these interactions have the most pronounced contribution to the crystal packing energy. The significance of the present article lies in both the detailed inspection of the crystal packing effect on the coordination bonds of the tin(IV) atom and intermolecular interactions governing the supramolecular self-assembly of hydrogen-bonded chains by means of specific interactions and π···π stacking.

show abstract

Section: Introductionmentioning

confidence: 99%

Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)

et al. 2015

Self Cite

View full text Add to dashboard Cite

show abstract

“…The energy of coordination Si-O bond in 5 (37.5 kcal/ mol) is somewhat decreased in comparison with acyclic complexes 1a,b and 3a but it is significantly stronger than Si-O bonds in pentacoordinated monochelate complexes previously studied in terms of AIM theory [23,24,27]. Due to highly covalent nature of Si-C bonds the estimation of their energies using correlation scheme described in the literature [26] can be not so reliable as in the case of Si-O bonds.…”

Section: 6mentioning

confidence: 86%

“…The energy of Si-O coordination bonds was estimated using correlation proposed by Espinosa et al [26]. Previously, we successfully utilized this approach for investigation of Si-O coordination bond in silylium ions and neutral compounds with coordination Si-O and Ge-O bonds [21,24,27].…”

Section: Structural Studiesmentioning

confidence: 99%

Complexation of tris(pentafluorophenyl)silanes with neutral Lewis bases

Dilman

Levin

Korlyukov

et al. 2008

Journal of Organometallic Chemistry

Self Cite

View full text Add to dashboard Cite

“…The Ge(1)-O(1) bond in the isolated molecule 5a is somewhat stronger than those in the isolated molecules of the complexes with the GeCl 3 fragment. 11 The change in the Ge (1) (in 5a•6MeCN), despite a large number of such interactions (6)(7)(8)(9)(10)(11). In corporation of an H 2 O molecule into the solvate cluster 3a•6MeCN resulted only in insignificant increase (to 6.3 kcal mol -1 ) of the overall energy of the interactions involving bromine atoms.…”

Section: Methodsmentioning

confidence: 99%

“…4c, 11 The influence of a polar solvent leads to a noticeable strengthening of the Ge-O bond and the corresponding weakening the Ge-Br bond, which is ac companied by the increase in polarization of these bonds.…”

Section: Methodsmentioning

confidence: 99%

Tribromogermyl monochelates — derivatives of N,N-disubstituted 2-hydroxycarboxylic amides

et al. 2010

View full text Add to dashboard Cite

Reactions of GeBr 4 with N,N dimethyl 2 trimethylsiloxypropionamide (2a), (S) 2 trime thylsiloxypropionpyrrolidide ((S) 2b), and N,N dimethyl O (trimethylsilyl)mandelamide (2c) afforded pentacoordinated neutral (O,O) monochelates, viz., N,N dimethyl 2 tribromoger myloxypropionamide (3a), (S) 2 tribromogermyloxypropionpyrrolidide ((S) 3b), and N,N di methyl O (tribromogermyl)mandelamide (3c), respectively. X ray diffraction study was per formed for tribromides 3a, (S) 3b, and 3c, as well as for the N,N dimethylmandelamide (1c) described earlier. According to the X ray diffraction data, the Ge atom in tribromides 3a, (S) 3b, and 3c is pentacoordinated and has trigonal bipyramidal configuration with two halo gen atoms and oxygen atom of the ether group in the equatorial positions and the halogen atom and the amide oxygen atom in the axial fragment, the bonds in which are somewhat longer as compared to the analogous bonds in tetracoordinated Ge compounds.

show abstract

The structural peculiarities and chemical bonding in three organogermanes Cl3GeCH2OC(O)R with rigid coordination centre

Cited by 15 publications

References 24 publications

Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)

Understanding the structure of salicyl hydrazone metallocomplexes: crystal structure, AIM and Hirshfeld surface analysis of trichloro-(N-salicylidenebenzoylhydrazinato-N,O,O′)-tin(IV)

Complexation of tris(pentafluorophenyl)silanes with neutral Lewis bases

Tribromogermyl monochelates — derivatives of N,N-disubstituted 2-hydroxycarboxylic amides

Contact Info

Product

Resources

About