Behavior of Lewis Bases toward Diphenylberyllium

Relativistic effects are found to be important for the estimation of NMR parameters in halogen-bonded complexes, mainly when they involve the heavier elements, iodine and astatine. A detailed study of 60 binary complexes formed between dihalogen molecules (XY with X, Y = F, Cl, Br, I and At) and four Lewis bases (NH3, H2O, PH3 and SH2) was carried out at the MP2/aug-cc-pVTZ/aug-cc-pVTZ-PP computational level to show the extent of these effects. The NMR parameters (shielding and nuclear quadrupolar coupling constants) were computed using the relativistic Hamiltonian ZORA and compared to the values obtained with a non-relativistic Hamiltonian. The results show a mixture of the importance of the relativistic corrections as both the size of the halogen atom and the proximity of this atom to the basic site of the Lewis base increase.

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Addition of the oxirane derivatives to CO2 catalyzed by Lewis bases under mild conditions

Russian Chemical Bulletin ◽

10.1007/s11172-021-3192-5 ◽

2021 ◽

Vol 70 (6) ◽

pp. 1118-1123

Author(s):

I. S. Gabov ◽

V. A. Kuznetsov ◽

I. S. Puzyrev ◽

A. V. Pestov

Keyword(s):

Lewis Bases ◽

Mild Conditions

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Cobalt(II) Mercury Tetrathiocyanate Complexes with Lewis Bases

Canadian Journal of Chemistry ◽

10.1139/v73-065 ◽

1973 ◽

Vol 51 (3) ◽

pp. 438-447 ◽

Cited By ~ 42

Author(s):

R. Makhija ◽

L. Pazdernik ◽

R. Rivest

Keyword(s):

Magnetic Susceptibility ◽

Powder Diffraction ◽

Elemental Analysis ◽

Far Infrared ◽

Crystalline Solid ◽

Ultraviolet Spectroscopy ◽

X Ray ◽

Lewis Bases ◽

Polydentate Ligands

A new series of octahedral cobalt(II) complexes are formed when CoX2(X = Cl, Br, I, SCN) reacts with Hg(SCN)2 in the presence of Lewis bases. These complexes of stoichiometry CoHg(SCN)4•2L (L = THF, dioxane, pyridine, aniline) are pink to violet solids which slowly decompose to the blue crystalline solid, CoHg(SCN)4, the stable magnetic susceptibility standard. On further reaction of CoHg(SCN)4•2THF with mono-, bi-, and polydentate ligands in dry ethanol, complexes of the following types are obtained: CoHg(SCN)4•2L (L = PΦ3), CoHg(SCN)4•2LL (LL = trien), CoHg(SCN)4•3LL (LL = en, bipy), and CoHg(SCN)4•4LL (LL = phen). The stoichiometry of these were determined by elemental analysis. Possible structures of these are discussed with the help of mid and far infrared, visible, and ultraviolet spectroscopy, magnetic susceptibility, and X-ray powder diffraction. Some new i.r. bands like Co—P, Co—N, and Hg—S are assigned in the low region.

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Spontaneous bond dissociation cascades induced by Ben clusters (n = 2,4)

Physical Chemistry Chemical Physics ◽

10.1039/d0cp06009g ◽

2021 ◽

Author(s):

Eva Vos ◽

Inés Corral ◽

M. Merced Montero-Campillo ◽

Otilia Mó ◽

José Elguero ◽

...

Keyword(s):

Lewis Acids ◽

Lewis Bases ◽

Bond Dissociation ◽

Multireference Methods

Be4 clusters are very powerful Lewis acids leading to the total dissociation of all the bonds of the Lewis bases interacting with them. The product of the bond dissociation cascade possesses a hyper-coordinated center. Multireference methods are needed to correctly describe these complexes.

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