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

Croitor Lilia; Petric M.; Szerb Elisabeta Ildyko; Vlase Gabriela; Bourosh Pavlina; Chumakov Yurii; Crişan Manuela E.

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CROITOR, Lilia, PETRIC, M., SZERB, Elisabeta Ildyko, VLASE, Gabriela, BOUROSH, Pavlina, 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, vol. 21, pp. 6038-6047. ISSN 1466-8033. DOI: https://doi.org/10.1039/c9ce01239g

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CrystEngComm

Volumul 21 / 2019 / ISSN 1466-8033

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

DOI:https://doi.org/10.1039/c9ce01239g

Pag. 6038-6047

Croitor Lilia¹, Petric M.¹, Szerb Elisabeta Ildyko¹, Vlase Gabriela², Bourosh Pavlina³, 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

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

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