Results 11 to 20 of about 15,805 (306)
Bonding situations in tricoordinated beryllium phenyl complexes [PDF]
Journal of Computational Chemistry, 2022 AbstractThe bonding situation in the tricoordinated beryllium phenyl complexes [BePh3]−, [(pyridine)BePh2] and [(trimethylsilyl‐N‐heterocyclic imine)BePh2] is investigated experimentally and computationally. Comparison of the NMR spectroscopic properties of these complexes and of their structural parameters, which were determined by single crystal X ...
Lewis R. Thomas‐Hargreaves +4 more
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Beryllium bonding with noble gas atoms [PDF]
Journal of Computational Chemistry, 2022 AbstractQuantum chemical calculations were carried out to investigate the nature of the bonding between a neutral Be3ring and noble gas atom. Electronic structure calculation for these complexes was carried out at different computational levels in association with natural bond orbital, quantum theory of atoms in molecules, electron localization ...
Lakhya J. Mazumder +3 more
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The Importance of Strain (Preorganization) in Beryllium Bonds [PDF]
Molecules, 2020 In order to explore the angular strain role on the ability of Be to form strong beryllium bonds, a theoretical study of the complexes of four beryllium derivatives of orthocloso-carboranes with eight molecules (CO, N2, NCH, CNH, OH2, SH2, NH3, and PH3 ...
Ibon Alkorta +5 more
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Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools [PDF]
, 2017 We thank the Spanish MINECO, grant CTQ2015-6.5790-P, the FICyT, grant GRUPIN14-049, and the European Union FEDER for funding. F.J.-G.
José Luis Casals‐Sainz +4 more
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Beryllium bonding: insights from the σ- and π-hole analysis [PDF]
Journal of Molecular Modeling, 2020 Beryllium bonding is actually a subclass of secondary bonding. Similar to the case of halogen bonding, the σ- and π-holes on the Be atom of the monomers give in zeroth approximation the direction of electrophilic attack favorable to the formation of beryllium bonds.
M. E. Alikhani
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Beryllium Dimer—Caught in the Act of Bonding [PDF]
Science, 2009 2 Be or Not 2 Be? The beryllium dimer is a rather simple-looking compound, bridging two atoms of the fourth-lightest element. Yet it has long posed a frustrating challenge to theorists, because, to a first approximation, chemical bonding models suggest that it should not exist.
Jeremy M. Merritt +2 more
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The Journal of Indian Prosthodontic Society, 2017 Aims: The aim of this study was to evaluate and compare the shear bond strength of porcelain to the alloys of nickel-chromium (Ni-Cr), cobalt-chromium (Co-Cr), and titanium.
Ananya Singh +2 more
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Beryllium Dimer Reactions with Acetonitrile: Formation of Strong Be−Be Bonds [PDF]
Molecules, 2023 Laser ablated Be atoms have been reacted with acetonitrile molecules in 4 K solid neon matrix. The diberyllium products BeBeNCCH3 and CNBeBeCH3 have been identified by D and 13C isotopic substitutions and quantum chemical calculations.
Fei Cong +4 more
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Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement [PDF]
The Journal of Chemical Physics, 2022 Although triazoles and tetrazole are amphoteric and may behave as weak acids, the latter property can be hugely enhanced by beryllium bonds. To explain this phenomenon, the structure and bonding characteristics of the complexes between triazoles and tetrazoles with one and two molecules of BeF2 have been investigated through the use of high-level G4 ab
M. Merced Montero‐Campillo +4 more
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Interaction of BeX2 (X = H, F, Cl, OH) with pseudohalides: Characterizing beryllium bonding
Chemical Physics ImpactHerein, the formation of complexes of BeX2 (X = H, F, Cl, OH) with pseudohalides (Y = N3−, CN−, NCS−, OCN−) is investigated. The computational studies reveal the formation of stable X2Be−Y complexes in which the Be−Y interactions are characterized by the
Bijan K. Paul
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