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Chemicals, plastics and rubber industries

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Theoretical study on the topochemical nature in the initiation process of the solid-state thermal isomerization reaction of methyl 4-(dimethylamino)benzenesulfonate

Article Abstract:

Ab initio molecular orbital experiments were conducted to investigate the initiation reaction of the methyl 4-(dimethylamino)benzenesulfonate (MDBS) thermal isomerization to N,N,N,-trimethylbenzenaminium-4-sulfonate (TBS) in the crystalline state. Aside from the topochemical nature of the initiation reaction, the ionic intermediates and crystal structures of MDBS and TBS were compared. The arrangement of a pair of molecules in the MDBS crystal optimized the transition-state structure. Moreover, in-phase molecular rotation in the MDBS induced the initiation stage of thermal isomerization.

Crystals, Crystal structure, Isomerization, Molecular rotation

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A rapid reversible solid-state transition in the A' form of pentadecanoic acid

Article Abstract:

A study was conducted to analyze a rapid reversible solid-state transition in the A'form of pentadecanoic acid. The acid samples were made using a combination of urea adducts, acid soap and fractional distillation techniques. A stereomicroscope was then utilized to examine single-crystal specimens. Experimental results indicated that the energy barriers among polymorphs supported the conversion transition of B' to A in two steps.

Fatty acids

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Solid state synthesis and optical limiting effect of two heteroselenometallic cubane-like clusters (u3-MoSe4)M3(PPh3)3C1(M=Cu and Ag)

Article Abstract:

Research is presented describing the study of two heteroselenametallic cubane-like clusers to discover the optical lining effect and solid state synthesis.

Molecular spectroscopy

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