The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid-base multicomponent systems
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CROITOR, Lilia; PETRIC, M.; SZERB, Elisabeta Ildyko; VLASE, Gabriela; BOUROSH, Paulina; CHUMAKOV, Yurii; CRIŞAN, Manuela E.. The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid-base multicomponent systems. In: CrystEngComm. 2019, nr. 21(40), pp. 6038-6047. ISSN 1466-8033.
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CrystEngComm
Numărul 21(40) / 2019 / ISSN 1466-8033

The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid-base multicomponent systems


DOI: 10.1039/c9ce01239g
Pag. 6038-6047

Croitor Lilia1, Petric M.1, Szerb Elisabeta Ildyko1, Vlase Gabriela2, Bourosh Paulina3, Chumakov Yurii34, Crişan Manuela E.1
 
1 Institute of Chemistry Timisoara of the Romanian Academy,
2 West University of Timisoara,
3 Institute of Applied Physics,
4 Gebze Institute of Technology, Cayirova
 
Disponibil în IBN: 29 octombrie 2019


Rezumat

The role of polymorphs in understanding and controlling the crystallization process from solution of an organic acid-base system is reported. Herein, the crystallization process of dimethylethanolammonium 4-nitrobenzoate (DMEA4NB) is explored through different pathways of crystallization, using 4-nitrobenzoic acid polymorphs crystallized in different space groups: Monoclinic P21/n (4NBH) and C2/c (4NBH∗), respectively. The crystal growth process was investigated by complementary experimental techniques such as single crystal and powder X-ray diffraction, Fourier transform infrared spectroscopy, hot-stage optical microscopy and thermogravimetric analysis correlated with an ab initio computational study. The experimental and theoretical data revealed that 4NBH is more stable than 4NBH∗, indicating that 4NBH∗ is more favorable for a one-step crystal growth process, while the 4NBH polymorph leads to DMEA4NB formation through three intermediate phases. The changes over time associated with solid-solid phase transformations in the crystal growth process are evaluated. The opacification process of DMEA4NB has indicated the partially reversible transformation of the product into an intermediate phase.

Cuvinte-cheie
Crystal growth, Fourier transform infrared spectroscopy, organic acids, single crystals