Magnesium ion catalyzed phosphorus-nitrogen bond hydrolysis in imidazolide-activated nucleotides. Relevance to template-directed synthesis of polynucleotides

1989 ◽  
Vol 111 (18) ◽  
pp. 7247-7257 ◽  
Author(s):  
Anastassia Kanavarioti ◽  
Claude F. Bernasconi ◽  
Donald L. Doodokyan ◽  
Diann J. Alberas
Keyword(s):  
Magnesium Ion ◽  
Directed Synthesis ◽  
Nitrogen Bond

Magnesium ion catalyzed P-N bond hydrolysis in imidazolide activated nucleotides. Relevance to template-directed synthesis of polynucleotides

1989 ◽  
Vol 19 (3-5) ◽  
pp. 353-353
Author(s):  
Anastassia Kanavarioti ◽  
Claude F. Bernasconi ◽  
Donald L. Doodokyan ◽  
Diann Alberas
Keyword(s):  
Magnesium Ion ◽  
Directed Synthesis

Stability of B12 (CN)12 2− : Implications for Lithium and Magnesium Ion Batteries

2016 ◽  
Vol 128 (11) ◽  
pp. 3768-3772 ◽  
Author(s):  
Hongmin Zhao ◽  
Jian Zhou ◽  
Puru Jena
Keyword(s):  
Magnesium Ion ◽  
Magnesium Ion Batteries

scholarly journals Influence of Copper(I) Halides on the Reactivity of Aliphatic Carbodiimides

2020 ◽  
Vol 3 (1) ◽  
pp. 20
Author(s):  
Valentina Ferraro ◽  
Marco Bortoluzzi
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
General Formula ◽  
Electron Density ◽  
Density Functional ◽  
Functional Theory ◽  
Fukui Functions ◽  
Bond Lengths ◽  
Linear Complexes ◽  
Nitrogen Bond

The influence of copper(I) halides CuX (X = Cl, Br, I) on the electronic structure of N,N′-diisopropylcarbodiimide (DICDI) and N,N′-dicyclohexylcarbodiimide (DCC) was investigated by means of computational DFT (density functional theory) methods. The coordination of the considered carbodiimides occurs by one of the nitrogen atoms, with the formation of linear complexes having a general formula of [CuX(carbodiimide)]. Besides varying the carbon–nitrogen bond lengths, the thermodynamically favourable interaction with Cu(I) reduces the electron density on the carbodiimides and alters the energies of the (NCN)-centred, unoccupied orbitals. A small dependence of these effects on the choice of the halide was observable. The computed Fukui functions suggested negligible interaction of Cu(I) with incoming nucleophiles, and the reactivity of carbodiimides was altered by coordination mainly because of the increased electrophilicity of the {NCN} fragments.

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