2D J–INEPT NMR Spectroscopy for CDn Groups: A Theoretical Study
Azmi Gençten, İrfan Şaka
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DOI: 10.4236/jmp.2011.27084   PDF    HTML   XML   6,221 Downloads   10,675 Views  

Abstract

2D J–INEPT NMR experiment is a combination of heteronuclear 2D J–Resolved and INEPT experiments. In this study, 2D J–INEPT experiment was analytically investigated by using product operator theory for weakly coupled ISn (I = ½, S=1; n = 1, 2, 3) spin systems. The obtained theoretical results represent the FID values of CD, CD2 and CD3groups. In order to make Fourier transform of the obtained FID values, a Maple program is used and then simulated spectra for of 2D J–INEPT experiment are obtained for CD, CD2 and CD3 groups. It is found that 2D J–INEPT is a useful experiment for both polarisation transfer and 2D J–resolved spectral assignment for CDn groups in complex molecules.

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A. Gençten and İ. Şaka, "2D J–INEPT NMR Spectroscopy for CDn Groups: A Theoretical Study," Journal of Modern Physics, Vol. 2 No. 7, 2011, pp. 719-723. doi: 10.4236/jmp.2011.27084.

Conflicts of Interest

The authors declare no conflicts of interest.

References

[1] J. M. Bulsing, W. M. Brooks, J. Field and D. M. Doddrell, "Polarization Transfer
[2] via an Intermediate Multiple-Quantum State of Maximum Order," Journal of Magnetic Resonance, Vol. 56, No. 1, 1984, pp. 167-173.
[3] J. M. Bulsing, W. M. Brooks, J. Field and D. M. Doddrell, "Reverse Polarization Transfer Through Maximum Order Multiple-Quantum Coherence. A Reverse POMMIE Sequence," Chemical Physics. Letters, Vol. 104, No.2?3 1984, pp. 229-234.
[4] J. M. Bulsing and D. M. Doddrell, "Multiple-Quantum Polarization-Transfer Coherence Pathways in Liquids," Journal of Magnetic Resonance, Vol. 61, No. 2, 1985, pp. 197-219.
[5] D. M. Doddrell, D. T. Pegg and M. R. Bendall, "Distortionless Enhancement of NMR Signals by Polarization Transfer," Journal of Magnetic Resonance, Vol. 48, No. 2, 1982, pp. 323?327.
[6] G. A. Morris and R. J. Freeman, “Enhancement off Nuclear Magnetic-Resonance Signals by Polarization Transfer” Journal of The American Chemical Society., Vol. 101, 1979, pp. 760?762.
[7] “Enhancement of signals with polarization transfer via: INEPT", Internet Available: www.chem.queensu.ca/facilities/NMR/nmr/webcourse/inept.htm W. S?rensen, G. W. Eich, M. H. Levitt, G. Bodenhausen and R. R. Ernst, "Product Operator Formalism for The Description of Pulse NMR Experiments," Progress in NMR Spectroscopy, Vol. 16, 1983, pp. 163-192.
[8] F. J. M. Van de Ven and C. W. Hilbers, "A Simple Formalism for The Description of Multiple-Pulse Experiments. Application to A Weakly Coupled 2-Spin (I=1/2) System," Journal of Magnetic Resonance, Vol. 54, No. 3, 1983, pp. 512-520.
[9] K. J. Packer and K. M. Wright, " The Use of Single-Spin Operator Basis Sets in The NMR Spectroscpy of Scalar-Coupled Spin Systems," Molecular Physics, Vol. 50, No. 4, 1983, pp. 797-813.
[10] J. Shriver, "Product operators and coherence transfer in multiple-pulse NMR experiments," Concepts in Magnetic Resonance, Vol. 4, No.1, 1992, pp. 1-33.
[11] N. Chandrakumar and S. Subramanian, "Modern Techniques in High Resolution FT NMR," Springer, New York, 1987.
[12] N. Chandrakumar, "Polarization Transfer Between Spin 1 and Spin 1/2 Nuclei," Journal of Magnetic Resonance, Vol. 60, No.1, 1984, pp. 28-36.
[13] R. R. Ernst, G. Bodenhausen and A. Wokaum, "Principles of Nuclear Magnetic Resonance in One and Two Dimentions," Clarendon Press, Oxford, 1987.
[14] Gen?ten and F. K?ksal, " A Product Operator Description of 2D-J Resolved NMR Spectroscopy for ISn Sspin System (I=1/2, S=1)," Spectroscopy Letters, Vol. 30, No. 1, 1997, pp. 71-78.
[15] Gen?ten, ?. Tezel and A. K?ro?lu, " A Theoretical Application of SEMUT NMR Spectroscopy to Deuterated compounds ," Applied Magnetic Resonance, Vol. 20, No. 1-2, pp. 2001, 265-273.
[16] Gen?ten and ?. ?aka, " A Complete Product Operator Theory for IS (I = (1)/(2), S=1) Spin System and Application to DEPT-HMQC NMR Experiment," Molecular Physics, Vol. 104, No. 18, 2006, pp. 2983-2989.
[17] ?. ?aka and A. Gen?ten, " A Theoretical Application of MAXY NMR for CDn Groups ," Z. Naturforsch, Vol. 62a, No: 5-6, 2007, pp. 259-264.
[18] ?. ?aka, " Analytical Descriptions of DEPT NMR Spectroscopy for ISn (I = 1,S = 1;n = 1,2,3,4) Spin Systems," Brazilian Journal of Physics, Vol. 38, No. 3A, 2008, pp. 323-328.
[19] P. Allard and T. H?rd, "A complete hermitian operator basis set for any spin quantum number," Journal of Magnetic Resonance, Vol. 153, No. 1, 2001, pp. 15-23.
[20] S. Wolfram, "The Mathematica Book 3rd ed.," Wolfram Media/Cambridge University Press, New York, 1996.
[21] R. P. F. Kanters, B. W. Char and A. W. Addison, "A Computer Algebra Appilcation for The Description of NMR Experiments Using The Product-Operator Formalism," Journal of Magnetic Resonance A, Vol. 101, No. 1, 1993, pp. 23-29.
[22] R. P. F. Kanters " Product Operator Formalism using Maple", 1993. Internet Available: http://oncampus.richmond.edu/~rkanters/POF/.

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