The Journal of Light Scattering, Volume. 32, Issue 3, 230(2020)
Influences by substituents on the geometrical structure, infrared and raman vibration frequency and electronic spectrum for meso-tetraphenylporphyrin: A theoretical study
[3] [3] Battersby A R, McDonald E. Origin of the pigments of life: the type-III problem in porphyrin biosynthesis[J]. Accounts of Chemical Research, 1979, 12(1): 14-22.
[4] [4] Biesaga M, Pyrzyńska K, Trojanowicz M. Porphyrins in analytical chemistry. A review[J]. Talanta, 2000, 51(2): 209-224.
[5] [5] Senge M O, Fazekas M, Notaras E G A, et al. Nonlinear optical properties of porphyrins[J]. Advanced Materials, 2007, 19(19): 2737-2774.
[6] [6] Liddell P A, Gervaldo M, Bridgewater J W, et al. Porphyrin-based hole conducting electropolymer[J]. Chemistry of Materials, 2007, 20(1): 135-142.
[7] [7] Choi B G, Ko S Y, Nam W W, et al. Recyclable porphyrin catalyst with core-shell nanostructure[J]. Bulletin of the Korean Chemical Society, 2005, 26(11): 1819-1822.
[8] [8] Ho C M, Zhang J L, Zhou C Y, et al. A water-soluble ruthenium glycosylated porphyrin catalyst for carbenoid transfer reactions in aqueous media with applications inbioconjugation reactions[J]. Journal of the American Chemical Society, 2010, 132(6): 1886-1894.
[9] [9] Le Maux P, Simonneaux G. First enantioselective iron-porphyrin-catalyzed sulfide oxidation with aqueous hydrogen peroxide[J]. Chemical Communications, 2011, 47(24): 6957-6959.
[10] [10] Martin R B, Li H, Gu L, et al. Superior optical limiting performance of simple metalloporphyrin derivatives[J]. Optical Materials, 2005, 27(8): 1340-1345.
[11] [11] McEwan K, Lewis K, Yang G Y, et al. Synthesis, characterization, and nonlinear optical study of metalloporphyrins[J]. Advanced Functional Materials, 2003, 13(11): 863-867.
[12] [12] Li L L, Diau E W G. Porphyrin-sensitized solar cells[J]. Chemical Society Reviews, 2013, 42(1): 291-304.
[13] [13] O′regan B, Grtzel M. A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films[J]. Nature, 1991, 353(6346): 737-740.
[14] [14] Cai L, Moehl T, Moon S J, et al. 4, 9-Dihydro-4, 4, 9, 9-tetrahexyl-s-indaceno [1, 2-b: 5, 6-b′] dithiophene as a π-spacer of donor-π-acceptor dye and its photovoltaic performance with liquid and solid-state dye-sensitized solar cells[J]. Organic letters, 2013, 16(1): 106-109.
[15] [15] Chaurasia S, Hsu C Y, Chou H H, et al. Synthesis, optical and electrochemical properties of pyridal [2, 1, 3] thiadiazole based organic dyes for dye sensitized solar cells[J]. Organic Electronics, 2014, 15(2): 378-390.
[16] [16] Namuangruk S, Sirithip K, Rattanatwan R, et al. Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cells[J]. Dalton Transactions, 2014, 43(24): 9166-9176.
[17] [17] Hsieh C P, Lu H P, Chiu C L, et al. Synthesis and characterization of porphyrin sensitizers with various electron-donatingsubstituents for highly efficient dye-sensitized solar cells[J]. Journal of Materials Chemistry, 2010, 20(6): 1127-1134.
[18] [18] Lu H P, Tsai C Y, Yen W N, et al. Control of dye aggregation and electron injection for highly efficient porphyrin sensitizers adsorbed on semiconductor films with varying ratios of coadsorbate[J]. The Journal of Physical Chemistry C, 2009, 113(49): 20990-20997.
[19] [19] Wu S L, Lu H P, Yu H T, et al. Design and characterization of porphyrin sensitizers with a push-pull framework for highly efficient dye-sensitized solar cells[J]. Energy & Environmental Science, 2010, 3(7): 949-955.
[20] [20] Matsuzawa N N, Ishitani A, Dixon D A, et al. Time-dependent density functional theory calculations of photoabsorption spectra in the vacuum ultraviolet region[J]. The Journal of Physical Chemistry A, 2001, 105(20): 4953-4962.
[21] [21] BecNe A D. Densityüfunctional thermochemistry. III. The role of exact exchange[J].The Journal of Chemical Physics, 1993, 98: 5648-5652.
[22] [22] Yanai T, Tew D P, Handy N C. A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) [J]. Chemical Physics Letters, 2004, 393(1): 51-57.
[23] [23] Dennington R, Keith T, Millam J. GaussView, version 5. Semichem Inc., Shawnee Mission, KS, 2009.
[24] [24] Frisch M, Trucks GW, Schlegel HB, et al. Gaussian 09, revision a. 02, Gaussian Inc., Wallingford, CT, 2009.
[25] [25] Zhang Y H, Zhao W, Jiang P, et al. Structural parameters and vibrational spectra of a series of zinc meso-phenylporphyrins: A DFT and experimental study[J]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010, 75(2): 880-890.
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ZHANG Jian, Li Xiu. Influences by substituents on the geometrical structure, infrared and raman vibration frequency and electronic spectrum for meso-tetraphenylporphyrin: A theoretical study[J]. The Journal of Light Scattering, 2020, 32(3): 230
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Received: Oct. 25, 2019
Accepted: --
Published Online: Jan. 28, 2021
The Author Email: Jian ZHANG (zhangjian.net@yeah.net)