Red and yellow color aspects of compound 3-dicyclopropylmethylene-5-dicyanomethylene-4-diphenylmethylenetetrahydrofuran-2-one:Chromism effect
English
Red and yellow color aspects of compound 3-dicyclopropylmethylene-5-dicyanomethylene-4-diphenylmethylenetetrahydrofuran-2-one:Chromism effect
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Key words:
- Intermolecular interactions
- / Crystallochromism
- / Solvation chromism
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[1] A.M.A. Asiri, H.G. Heller, M.B. Hursthouse, A. Karalulov, Tribochromic compounds, exemplified by 3-dicyclopropylmethylene-5-dicyanomethylene-4-diphenylmethylenetetrahydrofuran- 2-one, Chem. Commun. (2000) 799-800.[1] A.M.A. Asiri, H.G. Heller, M.B. Hursthouse, A. Karalulov, Tribochromic compounds, exemplified by 3-dicyclopropylmethylene-5-dicyanomethylene-4-diphenylmethylenetetrahydrofuran- 2-one, Chem. Commun. (2000) 799-800.
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[2] A. Irfan, R. Cui, J. Zhang, L. Hao, Push-pull effect on the charge transfer, and tuning of emitting color for disubstituted derivatives of mer-Alq3, Chem. Phys. 364 (2009) 39-45.[2] A. Irfan, R. Cui, J. Zhang, L. Hao, Push-pull effect on the charge transfer, and tuning of emitting color for disubstituted derivatives of mer-Alq3, Chem. Phys. 364 (2009) 39-45.
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[3] (a) A.G.Al-Sehemi, A. Irfan,A.M.Asiri,TheDFTinvestigations of the electroninjection in hydrazone-based sensitizers, Theor. Chem. Acc. 131 (2012) 1199-1208; (b) A.G. Al-Sehemi, M.A.M. Al-Melfi, A. Irfan, Electronic, optical, and charge transfer properties of donor-bridge-acceptor hydrazone sensitizers, Struct. Chem. 24 (2013) 499-506; (c) A. Irfan, A.G. Al-Sehemi, Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection, J. Mol. Model. 18 (2012) 4893-4900; (d) R. Jin, A. Irfan, Theoretical study of coumarin derivatives as chemosensors for fluoride anion, Comput. Theor. Chem. 986 (2012) 93-98; (e) A. Irfan, N. Hina, A.G. Al-Sehemi, A.M. Asiri, Quantum chemical investigations aimed at modeling highly efficient zinc porphyrin dye sensitized solar cells, J. Mol. Model. 18 (2012) 4199-4207; (f) A.G. Al-Sehemi, A. Irfan, A.M. El-Agrody, Synthesis, characterization and DFT study of 4H-benzo[h]chromene derivatives, J. Mol. Struct. 1018 (2012) 171-175; (g) A. Irfan, F. Ijaz, A.G. Al-Sehemi, A.M. Asiri, Quantum chemical approach toward rational designing of highly efficient oxadiazole based oligomers used in organic field effect transistors, J. Comput. Electron 11 (2012) 374-384; (h) A.D. Becke,Density-functional thermochemistry. ⅡI.The role of exact exchange, J. Chem. Phys. 98 (1993) 5648-5652; (i) B. Miehlich, A. Savin, H. Stoll, H. Preuss, Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr, Chem. Phys. Lett. 157 (1989) 200-206; (j) C. Lee, W. Yang, R.G. Parr, Development of the Colle-Salvetti correlationenergy formula into a functional of the electron density, Phys. Rev. B 37 (1988) 785-789.[3] (a) A.G.Al-Sehemi, A. Irfan,A.M.Asiri,TheDFTinvestigations of the electroninjection in hydrazone-based sensitizers, Theor. Chem. Acc. 131 (2012) 1199-1208; (b) A.G. Al-Sehemi, M.A.M. Al-Melfi, A. Irfan, Electronic, optical, and charge transfer properties of donor-bridge-acceptor hydrazone sensitizers, Struct. Chem. 24 (2013) 499-506; (c) A. Irfan, A.G. Al-Sehemi, Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection, J. Mol. Model. 18 (2012) 4893-4900; (d) R. Jin, A. Irfan, Theoretical study of coumarin derivatives as chemosensors for fluoride anion, Comput. Theor. Chem. 986 (2012) 93-98; (e) A. Irfan, N. Hina, A.G. Al-Sehemi, A.M. Asiri, Quantum chemical investigations aimed at modeling highly efficient zinc porphyrin dye sensitized solar cells, J. Mol. Model. 18 (2012) 4199-4207; (f) A.G. Al-Sehemi, A. Irfan, A.M. El-Agrody, Synthesis, characterization and DFT study of 4H-benzo[h]chromene derivatives, J. Mol. Struct. 1018 (2012) 171-175; (g) A. Irfan, F. Ijaz, A.G. Al-Sehemi, A.M. Asiri, Quantum chemical approach toward rational designing of highly efficient oxadiazole based oligomers used in organic field effect transistors, J. Comput. Electron 11 (2012) 374-384; (h) A.D. Becke,Density-functional thermochemistry. ⅡI.The role of exact exchange, J. Chem. Phys. 98 (1993) 5648-5652; (i) B. Miehlich, A. Savin, H. Stoll, H. Preuss, Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr, Chem. Phys. Lett. 157 (1989) 200-206; (j) C. Lee, W. Yang, R.G. Parr, Development of the Colle-Salvetti correlationenergy formula into a functional of the electron density, Phys. Rev. B 37 (1988) 785-789.
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[4] M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.[4] M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.
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[5] A. Beck, R. Gompper, K. Polborn, H.U. Wagner, Bi[1,3-bis(dicyanomethylene)indan- 2-ylidene]-an ethylene derivative with extremely pronounced, twisting of the CC Bond, Angew. Chem. Int. Ed. Engl. 32 (1993) 1352-1354.[5] A. Beck, R. Gompper, K. Polborn, H.U. Wagner, Bi[1,3-bis(dicyanomethylene)indan- 2-ylidene]-an ethylene derivative with extremely pronounced, twisting of the CC Bond, Angew. Chem. Int. Ed. Engl. 32 (1993) 1352-1354.
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