منابع مشابه
Correcting the record: the dimers and trimers of trans-N-methylacetamide.
The dimer of trans-N-methylacetamide serves as a simple model for hydrogen bonds in peptides, free of any backbone distortions. Its preferred structures represent benchmark systems for an accurate quantum chemical description of protein interactions. The trimer allows for either two linear or three strained hydrogen bonds, with the former being the only structural motif considered so far in the...
متن کاملSolvent dependence of the N-methylacetamide structure and force field.
The N-methylacetamide molecule (NMA) is an important model for peptide and protein vibrational spectroscopy as it contains the main amide chromophore. In the past, some observed NMA geometry and spectral features could not be entirely explained at the harmonic level or by a single-conformer model. In particular, the spectra were found to be very dependent on molecular environment. In this work ...
متن کاملA polarizable electrostatic model of the N-methylacetamide dimer
Our previously developed polarizable electrostatic model is applied to isolated N-methylacetamide (NMA) and to three hydrogen-bonded configurations of the NMA dimer. Two versions of the model are studied. In the first one (POL1), polarizability along the valence bonds is described by induced bond charge increments, and polarizability perpendicular to the bonds is described by cylindrically isot...
متن کاملDielectric Relaxation of Mixtures of N-Methylacetamide and N,N-Dimethylformamide Solved in Benzene Using Microwave Absorption Data
The dielectric relaxation times τ and dipole moments μ of N-methylacetamide (NMA) mixed with N,N-dimethylformamide (DMF) in benzene solutions have been obtained using standard standing wave microwave techniques and Gopala Krishna’s single frequency (9.90 GHz) concentration variational method at 25, 30, 35, and 40 ◦C. The energy parameters (∆Hε , ∆Fε , ∆Sε ) for the dielectric relaxation process...
متن کاملCrystal Structure of Trans- [bis(2,5-dichlorophenylcyanamido) {N,N′-propanediylbis(2,3-butadien-2-imine-3-oxime)} Cobalt(III)], trans-[Co((DO)(DOH)pn)(2,5-Cl2pcyd)2]
The first crystal structure of a phenylcyanamide cobaltoxime (cobaloxime) complex is reported. This compound is trans-[Co((DO)(DOH)pn)(2,5-Cl2pcyd)2], and consits of an imine-oxime equatorial ligand ((DO)(DOH)pn) and two 2,5-dichlorophenylcyanamide ligands in axial positions. Crystals of trans- [Co((DO)(DOH)pn)(2,5-Cl2pcyd)2] were grown by ether diffusion into an acetonitrile solution of the co...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure
سال: 1991
ISSN: 0022-2860
DOI: 10.1016/0022-2860(91)87133-3