Asymmetric ImineN-Inversion in 3-Methyl-4-pyrimidinimine. Molecular Dipole Analysis of Solvation Effects

2011 ◽  
Vol 76 (10) ◽  
pp. 3987-3996 ◽  
Author(s):  
Stephanie Coyle ◽  
Rainer Glaser
Keyword(s):  
Molecular Dipole ◽  
Solvation Effects ◽  
Dipole Analysis

Interaction of heterocycles and nucleophiles. II. Sigma complexes formed from methoxide ion and Methoxy-3,5-dinitropyridines in dimethyl sulphoxide

1970 ◽  
Vol 23 (5) ◽  
pp. 957 ◽  
Author(s):  
MEC Biffin ◽  
J Miller ◽  
AG Moritz ◽  
DB Paul
Keyword(s):  
Dimethyl Sulphoxide ◽  
No Conversion ◽  
Solvation Effects ◽  
Sigma Complexes ◽  
Sigma Complex ◽  
Methoxide Ion ◽  
Rearrangement Reactions

Contrasting behaviour is observed when 2- and 4-methoxy-3,5-dinitropyridine interact with methoxide ion in dimethyl sulphoxide. The 4-methoxy compound affords both methine and acetal sigma complexes, the latter being thermodynamically more stable. The interconversion is catalysed by methanol. Labelling experiments have established that the sigma complex from the 2-methoxypyridine is formed by addition at C6; no conversion into the acetal could be effected. These observations are rationalized in terms of differential steric and solvation effects. Demethylation and rearrangement reactions of 4-methoxy-3,5-dinitropyridine are reported.

Solvation effects and stabilization of multicharged ions: a case study of ArmBeOq+ complexes

2012 ◽  
Vol 14 (12) ◽  
pp. 4236 ◽  
Author(s):  
Roberto Linguerri ◽  
Najia Komiha ◽  
Majdi Hochlaf
Keyword(s):  
Solvation Effects

scholarly journals Assessing backbone solvation effects in the conformational propensities of amino acid residues in unfolded peptides

2015 ◽  
Vol 17 (38) ◽  
pp. 24917-24924 ◽  
Author(s):  
Niranjan V. Ilawe ◽  
Alexandra E. Raeber ◽  
Reinhard Schweitzer-Stenner ◽  
Siobhan E. Toal ◽  
Bryan M. Wong
Keyword(s):  
Amino Acid ◽  
Amino Acid Residues ◽  
Solvation Effects ◽  
Self Energy ◽  
Polyproline Ii ◽  
Water Water Water

Large energetic contributions to the stabilization of polyproline II result from peptide–water, water–water interactions, and changes of the solvent self-energy.

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