Crystal growth, structural scrutiny, optical properties, Hirshfeld surface examination and DFT calculations of an organic NLO material −2,4,6-trinitrophenyl benzoate

Excellent grade mono crystals of 2,4,6-Trinitrophenyl Benzoate (TNPB), a nonlinear optical (NLO) material, were successfully synthesized using acetonitrile as solvent through a slow evaporation technique. Single crystal X-ray diffraction confirmed that the titled material crystallizes in the non-cen...

Täydet tiedot

Bibliografiset tiedot

Päätekijät:	Saravana Kumar Gandhi, Rubarani P. Gangadharan, Roufieda Guerroudj, Nourdine Boukabcha, Abdelkader Chouaih
Aineistotyyppi:	Artigo
Kieli:	Inglês
Julkaistu:	Elsevier 2026-04-01
Sarja:	Next Materials
Aiheet:	TNPB Molecular structure DFT NCI-RDG AIM NLO
Linkit:	http://www.sciencedirect.com/science/article/pii/S2949822826002376
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