CONFORMATIONAL PREFERENCE IN 4,6-DIMETHYL-l,3-THIOXANE
نویسندگان
چکیده
منابع مشابه
The conformational preference of s - cis amides .
© Rzepa This article is distributed under the terms of the Creative Commons Attribution 4.0 International License, which permits unrestricted use, distribution, and redistribution in any medium, provided that the original author and source are credited. Amides with an H-N group are a component of the peptide linkage (O=C-NH). Here I ask what the conformation (it could also be called a configura...
متن کاملIonization spectroscopy of conformational isomers of propanal: the origin of the conformational preference.
Two different conformational isomers of propanal, cis and gauche, are investigated by the vacuum-UV mass-analyzed threshold ionization (VUV-MATI) spectroscopy to give accurate adiabatic ionization potentials of 9.9997 +/- 0.0006 eV and 9.9516 +/- 0.0006 eV, respectively. cis-Propanal, which is the more stable conformer in the neutral state, becomes less stable in the cation compared to gauche-p...
متن کاملHow the generalized anomeric effect influences the conformational preference.
The generalized anomeric effect refers to the conformational preference of a gauche structure over an anti structure for molecules with a R-X-C-Y moiety. Whereas there are conflicting reports regarding the origin of this ubiquitous effect, a general consensus is that both the steric (more specifically electrostatic) and hyperconjugative interactions contribute. Here we employed the block-locali...
متن کاملDFTMD studies of β-cellobiose: conformational preference using implicit solvent.
Previous DFT in vacuo studies on the conformational preferences for cellobiose showed that upon optimization the φ(H)-anti conformations were of lower energy than the syn forms. Upon optimization using an implicit solvation method, COSMO, the syn or observed form was still not predicted to be of lower energy than the φ(H)-anti form, even though optimization after addition of several explicit wa...
متن کاملThe conformational preference of s - cis amides . Ramachandran plots .
© Rzepa This article is distributed under the terms of the Creative Commons Attribution 4.0 International License, which permits unrestricted use, distribution, and redistribution in any medium, provided that the original author and source are credited. This is really just a postscript to the previous post. There I showed how a search of the (small molecule) crystal database revealed the s-cis ...
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ژورنال
عنوان ژورنال: Journal of the Chilean Chemical Society
سال: 2008
ISSN: 0717-9707
DOI: 10.4067/s0717-97072008000100014