منابع مشابه
Solvent 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 کاملcis-Diamminedichloridoplatinum(II) N,N-dimethylformamide monosolvate
In the title compound, cis-[PtCl₂(NH₃)₂]·C₃H₇NO, the metal complex mol-ecules are stacked parallel to the b axis, forming close Pt⋯Pt inter-actions of 3.4071 (7) and 3.5534 (8) Å and weak N-H⋯Cl hydrogen bonds between the ammine ligand and the Cl atoms of the neighboring complex. Conventional N-H⋯O hydrogen bonds are formed between ammine ligands and the O atom of adjacent N,N-dimethyl-formamid...
متن کاملQuantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method
Vibrational energy transfer of the amide I mode of N-methylacetamide (NMA) is studied theoretically using the vibrational configuration interaction method. A quartic force field of NMA is constructed at the B3LYP/6-31G+(d) level of theory and its accuracy is checked by comparing the resulting anharmonic frequencies with available theoretical and experimental values. Quantum dynamics calculation...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure: THEOCHEM
سال: 1991
ISSN: 0166-1280
DOI: 10.1016/0166-1280(91)87010-j