Chemistry is an experimental science, Category: amides-buliding-blocks, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 7396-58-9, Name is N-Decyl-N-methyldecan-1-amine, molecular formula is C21H45N, belongs to amides-buliding-blocks compound. In a document, author is Li, Yang.
This work presents a systematic investigation of the spectroscopic properties at anharmonic force fields of ground electronic state (X similar to 1A1) of LiNH2, which are calculated using second-order Moller-Plesset perturbation theory (MP2) and density functional theory (DFT) with hybrid GGA and meta-hybrid GGA (M06-2X) exchange-correlation functional. Two high angular momentum basis sets of 6-311+g (2d, p) and 6-311++g (3df, 2pd) are used. The equilibrium geometries, ground-state rotational constants, harmonic frequencies, and quartic and sextic centrifugal distortion constants of LiNH2 are calculated and compared with corresponding experimental or theoretical data. The predicted accuracy of the calculated constants has been confirmed by analyzing the deviations with respect to experiment. In addition, the anharmonic constants, vibration-rotation interaction constants, force constants, and Coriolis coupling constants of LiNH2 are firstly obtained. The infrared spectrum is predicted and together with the first prediction on the higher-order anharmonic constants contributes to a better understanding of the vibrational and rotational characteristics of LiNH2, thus revealing its internal structure.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 7396-58-9, in my other articles. Category: amides-buliding-blocks.
Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics