Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 305-84-0, Name is L-Carnosine, molecular formula is C9H14N4O3. In an article, author is Tan, Sinuo,once mentioned of 305-84-0, HPLC of Formula: https://www.ambeed.com/products/305-84-0.html.
2-Thiobarbituric acid (TBA) is one of the most polymorphic rich molecular solids currently known. Here, five most common polymorphs of TBA (form I, II, III, IV and hydrate) were investigated using terahertz time-domain spectroscopy (THz-TDS). All results of the terahertz spectra showed that there were significantly different absorption features for poly morphs, which indicated that THz-TDS technique could effectively identify different types of TBA polymorphs. Form IV belongs to the tautomeric polymorph, and the absorption features of form IV at 0. 65(broad band), 1. 02 and 1. 41 THz are significantly different from physical mixture of form I and form II. Density functional theory (DF1) calculation was performed to optimize two possible molecular structures and simulate the corresponding vibrational spectra. The theoretical result showed that simulated structure (form a) had absorption peaks at 0. 41/0. 47, 0. 89 and 1. 35 THz, which agrees with the THz experimental spectrum. Therefore, it is confirmed that, in the TBA form IV, the first hydrogen bond is formed between thione S7 of isomer A and amide H23 of isomer B in the structure of form IV, while the second one is constituted by amide H13 of isomer A and thione S20 of isomer B. The characteristic absorption modes of form IV are also assigned based on the simulation results of DFT calculation.
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Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics