메뉴 건너뛰기




Volumn 5, Issue 3, 2015, Pages 346-354

A comparative theoretical study of picric acid and its cocrystals

Author keywords

Cocrystal; DFT; Hydrogen bonding; Picric acid; stacking

Indexed keywords


EID: 84940929538     PISSN: None     EISSN: 20734352     Source Type: Journal    
DOI: 10.3390/cryst5030346     Document Type: Article
Times cited : (20)

References (25)
  • 1
    • 84879474952 scopus 로고    scopus 로고
    • Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive
    • Lin, H.; Zhu, S.G.; Li, H.Z.; Peng, X.H. Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive. J. Mol. Struct. 2013, 1048, 339-348.
    • (2013) J. Mol. Struct , vol.1048 , pp. 339-348
    • Lin, H.1    Zhu, S.G.2    Li, H.Z.3    Peng, X.H.4
  • 2
    • 84890633466 scopus 로고    scopus 로고
    • 3D energetic metal-organic frameworks: Synthesis and properties of high energy materials
    • Li, S.H.; Wang, Y.; Qi, C.; Zhao, X.X.; Zhang, J.C.; Zhang, S.W.; Pang, S.P. 3D energetic metal-organic frameworks: Synthesis and properties of high energy materials. Angew. Chem. Int. Ed. 2013, 52, 14031-14035.
    • (2013) Angew. Chem. Int. Ed , vol.52 , pp. 14031-14035
    • Li, S.H.1    Wang, Y.2    Qi, C.3    Zhao, X.X.4    Zhang, J.C.5    Zhang, S.W.6    Pang, S.P.7
  • 3
    • 77956244590 scopus 로고    scopus 로고
    • 1,1'-Azobis-1,2,3-triazole: A high-nitrogen compound with stable N8structure and photochromism
    • Li, Y.C.; Qi, C.; Li, S.H.; Zhang, H.J.; Sun, C.H.; Yu, Y.Z.; Pang, S.P. 1,1'-Azobis-1,2,3-triazole: A high-nitrogen compound with stable N8structure and photochromism. J. Am. Chem. Soc. 2010, 132, 12172-12173.
    • (2010) J. Am. Chem. Soc , vol.132 , pp. 12172-12173
    • Li, Y.C.1    Qi, C.2    Li, S.H.3    Zhang, H.J.4    Sun, C.H.5    Yu, Y.Z.6    Pang, S.P.7
  • 4
    • 84876592189 scopus 로고    scopus 로고
    • Synthesis and characterization of a stable, catenated N11 energetic salt
    • Tang, Y.X.; Yang, H.W.; Cheng, G.B. Synthesis and characterization of a stable, catenated N11 energetic salt. Angew. Chem. Int. Ed. 2013, 52, 4875-4877.
    • (2013) Angew. Chem. Int. Ed , vol.52 , pp. 4875-4877
    • Tang, Y.X.1    Yang, H.W.2    Cheng, G.B.3
  • 5
    • 79952583410 scopus 로고    scopus 로고
    • Effect of supersaturation on the morphology of coated surface in coating by solution crystallization
    • Jung, J.W.; Kim, K.J. Effect of supersaturation on the morphology of coated surface in coating by solution crystallization. Ind. Eng. Chem. Res. 2011, 50, 3475-3482.
    • (2011) Ind. Eng. Chem. Res , vol.50 , pp. 3475-3482
    • Jung, J.W.1    Kim, K.J.2
  • 6
    • 84863449543 scopus 로고    scopus 로고
    • Cocrystals of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)
    • Landenberger, K.B.; Matzger, A.J. Cocrystals of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX). Cryst. Growth Des. 2012, 12, 3603-3609.
    • (2012) Cryst. Growth Des , vol.12 , pp. 3603-3609
    • Landenberger, K.B.1    Matzger, A.J.2
  • 7
    • 84868673295 scopus 로고    scopus 로고
    • Characterization and properties of a novel energetic-energetic cocrystal explosive composed of HNIW and BTF
    • Yang, Z.W.; Li, H.Z.; Zhou, X.Q.; Zhang, C.Y. Characterization and properties of a novel energetic-energetic cocrystal explosive composed of HNIW and BTF. Cryst. Growth Des. 2012, 12, 5155-5158.
    • (2012) Cryst. Growth Des , vol.12 , pp. 5155-5158
    • Yang, Z.W.1    Li, H.Z.2    Zhou, X.Q.3    Zhang, C.Y.4
  • 8
    • 84878923057 scopus 로고    scopus 로고
    • Two isostructural explosive cocrystals with significantly different thermodynamic stabilities
    • Landenberger, K.B.; Bolton, O.; Matzger, A.J. Two isostructural explosive cocrystals with significantly different thermodynamic stabilities. Angew. Chem. Int. Ed. 2013, 52, 6468-6471.
    • (2013) Angew. Chem. Int. Ed , vol.52 , pp. 6468-6471
    • Landenberger, K.B.1    Bolton, O.2    Matzger, A.J.3
  • 9
    • 78649964377 scopus 로고    scopus 로고
    • Cocrystal engineering of a prototype energetic material: Supramolecular chemistry of 2,4,6-trinitrotoluene
    • Landenberger, K.B.; Matzger, A.J. Cocrystal engineering of a prototype energetic material: Supramolecular chemistry of 2,4,6-trinitrotoluene. Cryst. Growth Des. 2012, 10, 5341-5347.
    • (2012) Cryst. Growth Des , vol.10 , pp. 5341-5347
    • Landenberger, K.B.1    Matzger, A.J.2
  • 10
    • 80052592011 scopus 로고    scopus 로고
    • Improved stability and smart-material functionality realized in an energetic cocrystal
    • Bolton, O.; Matzger, A.J. Improved stability and smart-material functionality realized in an energetic cocrystal. Angew. Chem. Int. Ed. 2011, 50, 8960-8963.
    • (2011) Angew. Chem. Int. Ed , vol.50 , pp. 8960-8963
    • Bolton, O.1    Matzger, A.J.2
  • 11
    • 84865856945 scopus 로고    scopus 로고
    • High power explosive with good sensitivity: A 2:1 cocrystal of CL-20:HMX
    • Bolton, O.; Simke, L.R.; Matzger, A.J. High power explosive with good sensitivity: A 2:1 cocrystal of CL-20:HMX. Cryst. Growth Des. 2012, 12, 4311-4314.
    • (2012) Cryst. Growth Des , vol.12 , pp. 4311-4314
    • Bolton, O.1    Simke, L.R.2    Matzger, A.J.3
  • 12
  • 13
    • 77953619756 scopus 로고    scopus 로고
    • The (2:1) complex of picric acid with tetramethylpyrazine: The structure, IR spectra and tunnel splitting of methyl groups
    • Dobrowolska, W.S.; Bator, G.; Sobczyk, L. The (2:1) complex of picric acid with tetramethylpyrazine: The structure, IR spectra and tunnel splitting of methyl groups. J. Mol. Struct. 2010, 975, 298-302.
    • (2010) J. Mol. Struct , vol.975 , pp. 298-302
    • Dobrowolska, W.S.1    Bator, G.2    Sobczyk, L.3
  • 14
    • 79960055703 scopus 로고    scopus 로고
    • Hydrogen bonding and Electron Donor-Acceptor (EDA) interactions controlling the crystal packing of picric acid and its adducts with nitrogen bases. Their rationalization in terms of the pKa equalization and electron-pair saturation concepts
    • Bertolasi, V.; Gilli, P.; Gilli, G. Hydrogen bonding and Electron Donor-Acceptor (EDA) interactions controlling the crystal packing of picric acid and its adducts with nitrogen bases. Their rationalization in terms of the pKa equalization and electron-pair saturation concepts. Cryst. Growth Des. 2011, 11, 2724-2735.
    • (2011) Cryst. Growth Des , vol.11 , pp. 2724-2735
    • Bertolasi, V.1    Gilli, P.2    Gilli, G.3
  • 15
    • 84868690103 scopus 로고    scopus 로고
    • 2,4-Diazido-5-iodo-pyrimidine crystal under high pressure: A comparison of DFT and DFT-D studies
    • Liu, Y.; Wang, G.X.; Gong, X.D. 2,4-Diazido-5-iodo-pyrimidine crystal under high pressure: A comparison of DFT and DFT-D studies. Comput. Theor. Chem. 2012, 1000, 60-69.
    • (2012) Comput. Theor. Chem , vol.1000 , pp. 60-69
    • Liu, Y.1    Wang, G.X.2    Gong, X.D.3
  • 16
    • 84867231017 scopus 로고    scopus 로고
    • Comparative theoretical studies of high pressure effect on polymorph I of 2,2',4,4',6,6'-hexanitroazobenzene crystal
    • Liu, Y.; Du, H.C.; Wang, G.X.; Gong, X.D. Comparative theoretical studies of high pressure effect on polymorph I of 2,2',4,4',6,6'-hexanitroazobenzene crystal. Struct. Chem. 2012, 23, 1631-1642.
    • (2012) Struct. Chem , vol.23 , pp. 1631-1642
    • Liu, Y.1    Du, H.C.2    Wang, G.X.3    Gong, X.D.4
  • 18
    • 35948979200 scopus 로고    scopus 로고
    • Solid state synthesis and hierarchical supramolecular self-assembly of organic salt cocrystals
    • Thakuria, H.; Borah, B.M.; Pramanik, A.; Das, G. Solid state synthesis and hierarchical supramolecular self-assembly of organic salt cocrystals. J. Chem. Crystallogr. 2007, 37, 807-816.
    • (2007) J. Chem. Crystallogr , vol.37 , pp. 807-816
    • Thakuria, H.1    Borah, B.M.2    Pramanik, A.3    Das, G.4
  • 20
    • 0002462375 scopus 로고    scopus 로고
    • A critical account on p-p stacking in metal complexes with aromatic nitrogen-containing ligands
    • Janiak, C. A critical account on p-p stacking in metal complexes with aromatic nitrogen-containing ligands. J. Chem. Soc. Dalton Trans. 2000, 21, 3885-3896.
    • (2000) J. Chem. Soc. Dalton Trans , vol.21 , pp. 3885-3896
    • Janiak, C.1
  • 23
    • 0042362575 scopus 로고    scopus 로고
    • Fingerprinting intermolecular interactions in molecular crystals
    • Spackman, M.A.; McKinnon, J.J. Fingerprinting intermolecular interactions in molecular crystals. Cryst. Eng. Comm. 2012, 4, 378-392.
    • (2012) Cryst. Eng. Comm , vol.4 , pp. 378-392
    • Spackman, M.A.1    McKinnon, J.J.2
  • 24
    • 84890860020 scopus 로고    scopus 로고
    • Stacking and hydrogen bond interactions between adenine and gallic acid
    • Lorenzo, I.; Graña, A.M. Stacking and hydrogen bond interactions between adenine and gallic acid. J. Mol. Model. 2013, 19, 5293-5299.
    • (2013) J. Mol. Model , vol.19 , pp. 5293-5299
    • Lorenzo, I.1    Graña, A.M.2
  • 25
    • 56149091282 scopus 로고    scopus 로고
    • Review of the establishment of nitro group charge method and its applications
    • Zhang, C.Y. Review of the establishment of nitro group charge method and its applications. J. Hazard. Mater. 2009, 161, 21-28.
    • (2009) J. Hazard. Mater , vol.161 , pp. 21-28
    • Zhang, C.Y.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.