[1] Ning Yong-cheng(宁永成). Structure Identifying of Organic Compound and Organic Spectroscopy(有机化合物结构鉴定与有机波谱学) (2nd ed)[M]. Beijing(北京): Science Press(科学出版社), 2000. 8, 98, 102-106.
[2] Zhu Hui-wu(朱淮武). Spectral Analysis of Organic Molecular Structure(有机分子结构波谱解析) [M]. Beijing(北京): Chemical Industry Press(化学工业出版社), 2005. 84, 135-148.
[3] Shoolery J N. The development of experimental and analytical high resolution NMR[J]. Magn Reson, 1995, 28: 37-52.
[4] Williams D H, Ian F. Spectroscopic Method in Organic Chemistry(有机化学中的光谱方法) (5th ed) Trans. Wang Jian-bo(王剑波), Shi Wei-feng(施卫峰译) [M]. Beijing(北京): Peking University Press(北京大学出版社), 2001. 12, 54-58.
[5] Wang Nai-xin(王乃兴). Nuclear Magnetic Resonance Spectroscopy-Application in Organic Chemistry(核磁共振谱学-在有机化学中的应用)[M]. Beijing(北京): Chemical Industry Press(化学工业出版社), 2006. 15, 35.
[6] Grant D M, Paul E G. Carbon-13 magnetic resonance Ⅱ. chemical shift data for the alkanes[J]. J Am Chem Soc, 1964, 86: 2 984-2 990.
[7] Fürst A, Pretsch E, Robien W. Comprehensive parameter set for the prediction of the 13C NMR chemical shifts of sp3-hybridized carbon atoms in organic compounds[J]. Anal Chim Acta, 1990, 233: 213-222.
[8] Pretsch E, Fürst A, Robien W. Parameter set for the prediction of the 13C NMR chemical Shifts of sp2- and sp-hybridized carbon atoms in organic compounds[J]. Anal Chim Acta, 1991, 248: 415-428.
[9] Suryanarayana I, Gasteiger J. Quantitative empirical treatment of 13C NMR chemical shifts of aliphatic halides[J]. Organic Magnetic Resonance, 1991, 29: 975-984.
[10] Nuzillard J M. Computer-assisted structure determination of organic molecules[J]. Chim Phys-Chim Biol, 1998, 95: 169-177.
[11] Meiler J, Meusinger R, Will M. Fast determination of 13C NMR chemical shifts using artificial neural networks[J]. Chem Inf Comp Sci, 2000, 40: 1 169-1 176.
[12] Schnackenberg L K, Beger R D. Whole-molecule calculation of logP based on molar volume, hydrogen bonds, and simulated 13C NMR spectra[J]. J Chem Inf Model, 2005, 45: 360-365.
[13] Nie Chang-ming(聂长明), Wen Song-nian(文松年). Equilibrium electronegativity and 13C NMR chemical shift of alkanes(平衡电负性与烷烃核磁共振碳谱位移) [J]. Chinese J Magn Reson(波谱学杂志), 2001, 18(1): 45-50.
[14] Li Mei-ping(李美萍), Lu Hui(芦飞), Quan Jian-bo(仝建波), et al. Study on the relation between the structure parameters of carbonyl compound and the 13C NMR chemical shift (羰基化合物结构参数与其13C NMR谱化学位移的关系) [J]. Chinese Chemistry(化学通报), 2004, 67(10): 778-782.
[15] Yang Guo-cheng(杨国臣), Zhang Sheng-wan(张生万), Quan Jian-bo(仝建波). Calculation of 13C NMR chemical shifts in aliphatic ether(脂肪族醚类化合物核磁共振碳谱模拟).[J]. Chinese J Magn Reson(波谱学杂志), 2007, 24(1): 91-100.
[16] Yi Gui-yuan(易贵元),Cao Chen-zhong(曹晨忠). Influence of electronegativity, polarizability and steric effects on the 13C NMR chemical shift of aliphatic amines(电负性效应、极化效应和立体效应对脂肪胺13C NMR化学位移的影响) [J]. Chinese J Anal Chem(分析化学), 2009, 37(2): 205-210.
[17] Abraham R J, Byrne J J, Griffiths Lee, et al. 1H chemical shifts in NMR: Part 22+ -Prediction of the 1H chemical shifts of alcohols, diols and inositols in solution, a conformational and salvation investigation[J]. Magn Reson Chem, 2005, 43: 611-624.
[18] Cao Chen-zhong(曹晨忠). Substituent Effects in Organic Chemistry(有机化学中的取代基效应)[M]. Beijing(北京): Science Press(科学出版社), 2003. 38.
[19] Taft R W, Topsom R D. The nature and analysis of substituent electronic effects[J]. Prog Phys Org Chem, 1987, 16: 1-83.
[20] Cao C Z. Determination of carbon 1s core ionization energies in saturated molecules[J]. QSAR Comb Sci 2008, 27: 147-156.
[21] Gasteiger J, Hutchings M G. Quantitative of effective polarizability. Applications to studies of X-ray photoelectron spectroscopy and alkylamine protonation[J]. Chem Soc, Perkin Trans II, 1984, 3: 559-564.
[22] Cao Chen-zhong(曹晨忠). Study on the polarizability effect of alkyl substituent(烷基极化效应的研究)[J]. Chinese Chemistry(化学通报), 1995, (10): 48-51.
[23] David R L. CRC Handbook of Chemistry and Physics (84th, ed)[M]. Florida: INC. Boca Raton, CRC Press, 2003-2004. 9-74, 10-165.
[24] National institute of advanced industrial science and technology (AIST), Japan. Spectral database for organic compounds SDBS[EB/OL] http://riodb01.ibase.aist.go.jp/sdbs/cgi_bin/direct_frame_top.cgi.
[25] Sadtler Standard Carbon 13 NMR Spectra. Sadtler Research Laboratories Division of Bio Rad Laboratories[M]. Printed in the United States of America, INC, 1980. |