The beryllium bond

Montero‐Campillo, M. Merced; Mó, Otília; Yáñez, Manuel; Alkorta, Ibón; Elguero, José

doi:10.1016/bs.adioch.2018.10.003

Cited by 44 publications

(34 citation statements)

References 207 publications

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“…Linear correlations between this angle and the deformation energy are observed here if two sub‐samples with one and with two ligands are analyzed separately (R 2 =0.93 and 0.90, respectively). It is worth to mention that also great deformations of linear arrangements of divalent Be, Mg and Ca centres were observed recently if these centres interact with Lewis base moieties …”

Section: Resultsmentioning

confidence: 94%

“…In a recent study on the Mg‐bond the following approaches were applied to characterize this interaction; QTAIM, the ELF (Electron Localization Function) method and the NBO (Natural Bond Orbital) method. The interaction between alkaline‐earth derivatives and various Lewis bases was analyzed and it was found that the interactions of Mg and Ca centres with electron rich species are comparable to those of beryllium centre or even for some of Lewis bases they are stronger than their Be‐counterparts …”

Section: Introductionmentioning

confidence: 99%

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Magnesium Bonds: From Divalent Mg Centres to Trigonal and Tetrahedral Coordination

Grabowski

2018

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wB97XD/aug-cc-pVTZ calculations were performed for MgXY complexes (X=Cl, Br; Y=Cl, Br, CH 3 , C 2 H 5 , C 6 H 5 ) with one or two H 2 O or (CH 3 ) 2 O ligands to mimic interactions of Grignard reagents in solvents. The magnesium Lewis acid centre interacts in these complexes with the Lewis base O-centre and the corresponding Mg…O link may be classified as the magnesium bond (Mg-bond). This interaction is characterized by properties similar to those of the hydrogen bond; however it also possesses few unique features. The Mg-centres of isolated MgXY species are characterized by ring regions of a positive electrostatic potential (EP) that determines their acidic properties. The linear geometry of the MgXY unit is disturbed in complexes with H 2 O or (CH 3 ) 2 O species where the Mgcentres are closer to trigonal and to tetrahedral configurations in complexes with one and two ligands, respectively; such centres also possess regions of positive EP.

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Section: Resultsmentioning

confidence: 94%

Section: Introductionmentioning

confidence: 99%

Magnesium Bonds: From Divalent Mg Centres to Trigonal and Tetrahedral Coordination

Grabowski

2018

ChemistrySelect

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“…Initially, this topic started with Beryllium bonds [40,41] and further extended to magnesium and calcium bonds along Group 2. Kollman, Liebman, and Allen suggested, in 1970, studying H 2 Be• • • OH 2 , while they explained that HBeF is isoelectronic to HCN [34].…”

Section: Alkaline Earth Bondsmentioning

confidence: 99%

Not Only Hydrogen Bonds: Other Noncovalent Interactions

2020

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In this review, we provide a consistent description of noncovalent interactions, covering most groups of the Periodic Table. Different types of bonds are discussed using their trivial names. Moreover, the new name “Spodium bonds” is proposed for group 12 since noncovalent interactions involving this group of elements as electron acceptors have not yet been named. Excluding hydrogen bonds, the following noncovalent interactions will be discussed: alkali, alkaline earth, regium, spodium, triel, tetrel, pnictogen, chalcogen, halogen, and aerogen, which almost covers the Periodic Table entirely. Other interactions, such as orthogonal interactions and π-π stacking, will also be considered. Research and applications of σ-hole and π-hole interactions involving the p-block element is growing exponentially. The important applications include supramolecular chemistry, crystal engineering, catalysis, enzymatic chemistry molecular machines, membrane ion transport, etc. Despite the fact that this review is not intended to be comprehensive, a number of representative works for each type of interaction is provided. The possibility of modeling the dissociation energies of the complexes using different models (HSAB, ECW, Alkorta-Legon) was analyzed. Finally, the extension of Cahn-Ingold-Prelog priority rules to noncovalent is proposed.

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“…The effect of the ligands on the silver atom and the substituents on the pyrazole rings on the structure, energetic, electronic and magnetic properties have been analyzed. There is a wide variety of non-covalent interactions due to most groups of the periodic table being associated with a certain type of NCI: starting from the archetypical hydrogen bond (HB) there are "alkali bonds" (group 1) [16,17], "alkaline earth bonds" (group 2) [18][19][20], "regium bonds" (groups 10 and 11) [21][22][23], "triel bonds" (group 13) [24], "tetrel bonds" (group 14) [25][26][27][28], "pnictogen (also called pnicogen) bonds" (group 15) [29][30][31], "chalcogen bonds" (group 16) [32][33][34][35], "halogen bonds" (group 17) [36,37], and "aerogen bonds" (group 18) [38]. Regium (or coinage-metal bonds) bonds involve mainly coinage metals, Cu, Ag and Au.…”

Section: Introductionmentioning

confidence: 99%

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

et al. 2020

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A theoretical study and Cambridge Structural Database (CSD) search of dinuclear Ag(I) pyrazolates interactions with Lewis bases were carried out and the effect of the substituents and ligands on the structure and on the aromaticity were analyzed. A relationship between the intramolecular Ag–Ag distance and stability was found in the unsubstituted system, which indicates a destabilization at longer distances compensated by ligands upon complexation. It was also observed that the asymmetrical interaction with phosphines as ligands increases the Ag–Ag distance. This increase is dramatically higher when two simultaneous PH3 ligands are taken into account. The calculated 109Ag chemical shielding shows variation up to 1200 ppm due to the complexation. Calculations showed that six-membered rings possessed non-aromatic character while pyrazole rings do not change their aromatic character significantly upon complexation.

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The beryllium bond

Cited by 44 publications

References 207 publications

Magnesium Bonds: From Divalent Mg Centres to Trigonal and Tetrahedral Coordination

Magnesium Bonds: From Divalent Mg Centres to Trigonal and Tetrahedral Coordination

Not Only Hydrogen Bonds: Other Noncovalent Interactions

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

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