Anion–anion and anion–neutral triel bonds

2021 ◽  
Vol 23 (8) ◽  
pp. 4818-4828 ◽  
Author(s):  
Rafał Wysokiński ◽  
Mariusz Michalczyk ◽  
Wiktor Zierkiewicz ◽  
Steve Scheiner
Keyword(s):  
Lewis Bases ◽  
Triel Bond

TrCl4− (Tr = Al, Ga, In, Tl) anion is able to engage in complexes with two Lewis bases: neutral NH3 or the CN− anion through a triel bond. Complexation leads to two types of geometries: axial and equatorial.

scholarly journals Competition between Intra and Intermolecular Triel Bonds. Complexes between Naphthalene Derivatives and Neutral or Anionic Lewis Bases

Molecules ◽  
2020 ◽  
Vol 25 (3) ◽  
pp. 635 ◽  
Author(s):  
Zierkiewicz ◽  
Michalczyk ◽  
Scheiner
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Naphthalene Derivatives ◽  
Strong Base ◽  
Lewis Bases ◽  
Triel Bond

: A TrF2 group (Tr = B, Al, Ga, In, Tl) is placed on one of the α positions of naphthalene, and its ability to engage in a triel bond (TrB) with a weak (NCH) and strong (NC−) nucleophile is assessed by ab initio calculations. As a competitor, an NH2 group is placed on the neighboring Cα, from which point it forms an intramolecular TrB with the TrF2 group. The latter internal TrB reduces the intensity of the π-hole on the Tr atom, decreasing its ability to engage in a second external TrB. The intermolecular TrB is weakened by a factor of about two for the smaller Tr atoms but is less severe for the larger Tl. The external TrB can be quite strong nonetheless; it varies from a minimum of 8 kcal/mol for the weak NCH base, up to as much as 70 kcal/mol for CN−. Likewise, the appearance of an external TrB to a strong base like CN− lessens the ability of the Tr to engage in an internal TrB, to the point where such an intramolecular TrB becomes questionable.

Cocrystals of 1,2-bis(chloromercurio) tetrafluorobenzene with netural bidentate Lewis bases

2007 ◽  
Vol 63 (a1) ◽  
pp. s166-s166
Author(s):  
M. Yu. Antipin ◽  
A. A. Yakovenko ◽  
J. H. Gallegos ◽  
T. V. Timofeeva
Keyword(s):  
Lewis Bases

scholarly journals Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4399 ◽  
Author(s):  
Ibon Alkorta ◽  
José Elguero ◽  
Manuel Yáñez ◽  
Otilia Mó ◽  
M. Merced Montero-Campillo
Keyword(s):  
Relativistic Effects ◽  
Lewis Base ◽  
Coupling Constants ◽  
Basic Site ◽  
Lewis Bases ◽  
Nmr Parameters ◽  
Quadrupolar Coupling ◽  
Binary Complexes ◽  
Computational Level ◽  
Bonded Complexes

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.

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

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

Cobalt(II) Mercury Tetrathiocyanate Complexes with Lewis Bases

1973 ◽  
Vol 51 (3) ◽  
pp. 438-447 ◽  
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.

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

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.

Complexing and exchange of boron, aluminum, and gallium chlorides with some Lewis bases

1982 ◽  
Vol 60 (18) ◽  
pp. 2402-2402
Author(s):  
Boris Glavincevski ◽  
Sydney K. Brownstein
Keyword(s):  
Lewis Bases

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