A 1:1 ENERGETIC CO-CRYSTAL FORMED BETWEEN TRINITROTOLUENE AND 2,3-DIAMINOTOLUENE
MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING, cilt.37, sa.1, ss.61-69, 2018 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 37 Sayı: 1
- Basım Tarihi: 2018
- Doi Numarası: 10.20450/mjcce.2018.1421
- Dergi Adı: MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.61-69
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Polis Akademisi Adresli: Hayır
Özet
A 1:1 co-crystal of trinitrotoluene (TNT) and 2,3-diaminotoluene was prepared by solvent evaporation, and the structure of the co-crystal was determined by single-crystal and powder X-ray diffraction. The results indicate that the main mechanism of co-crystallization originates from the intermolecular hydrogen bonding (amino-nitro) and pi-pi stacking. We also examined the Hirshfeld surfaces and associated fingerprint plots of the co-crystal and reveal that the structures are stabilized by H center dot center dot center dot H, O-H, O center dot center dot center dot O and C center dot center dot center dot C (pi-pi) intermolecular interactions. We analyzed the crystal packing and show its influence upon impact sensitivity. The results highlight that co-crystallization is an effective way to modify the sensitivity, oxygen balance and density of explosives.