A THEORETICAL INVESTIGATION OF PENDANT 13C NMR SPECTROSCOPY FOR CDn GROUPS

Abstract

Abstract: Polarization enhancement nurtured during attached nucleus testing (PENDANT) NMR spectroscopy gives signals of quaternary carbon atoms in addition to the signals of CH, CH2 and CH3 groups. In this study, analytical description of PENDANT NMR spectroscopy for CDn (ISn, I=½, S=1, n=0, 1, 2, 3) spin systems are presented by using the product operator theory. Simulation results of PENDANT NMR spectroscopy are also presented for CDn (ISn, I=½, S=1, n=0, 1, 2, 3) spin systems. Theoretical results are found to be in exact agreement with the simulation results. Key Words: PENDANT, 13C NMR, Product Operator Theory.

Keywords

• PENDANT, 13C ÇMR, Çarpım Operatör Kuramı

A THEORETICAL INVESTIGATION OF PENDANT 13C NMR SPECTROSCOPY FOR CDn GROUPS

Abstract

Abstract: Polarization enhancement nurtured during attached nucleus testing (PENDANT) NMR spectroscopy gives signals of quaternary carbon atoms in addition to the signals of CH, CH2 and CH3 groups. In this study, analytical description of PENDANT NMR spectroscopy for CDn (ISn, I=½, S=1, n=0, 1, 2, 3) spin systems are presented by using the product operator theory. Simulation results of PENDANT NMR spectroscopy are also presented for CDn (ISn, I=½, S=1, n=0, 1, 2, 3) spin systems. Theoretical results are found to be in exact agreement with the simulation results. Key Words: PENDANT, 13C NMR, Product Operator Theory.

Keywords

• PENDANT,13C NMR,Product Operator Theory

References

1. ALLARD P, HÄRD T, 2001. A Complete Hermitian Operator Basis Set for any Spin Quantum Number. J. Magn. Reson., 153, 15−21.
2. BRAUN S, KALINOWSKI HO, BERGER S, 1998. 150 and More Basic NMR Experiments, Wiley-VCH, Weinheim. pp.596.
3. CHANDRAKUMAR N, SUBRAMANIAN S, 1987. Modern Techniques in High Resolution FT NMR, Springer, New York. pp.388.
4. CHANDRAKUMAR N, 1984. Polarization Transfer between Spin−1 and Spin−1/2 Nuclei. J.Magn. Reson., 60, 28−36.
5. ERNST RR, BODENHAUSEN G, WOKAUN A, 1987. Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford. pp.610.
6. GENÇTEN A, KÖKSAL F, 1997. A Product Operator Description of 2D−J Resolved NMR spectroscopy for ISn Spin System (I=1/2, S=1). Spect. Lett., 30, 71−78.
7. GENÇTEN A, ÖZDOĞAN T, KÖKSAL F, 1998. A Product Operator Theory of 2D DEPT J−Resolved NMR spectroscopy for ISn Spin System (I=1/2, S=1). Spect. Lett., 31, 981−987.
8. GENÇTEN A, TEZEL Ö, KÖROĞLU A, 2001. A Theoretical Application of SEMUT NMR Spectroscopy to Deuterated Compounds. Appl. Magn. Reson., 20, 265−273.

9. GENÇTEN A, ŞAKA İ, 2006. A Complete Product Operator Theory for IS (I=½, S=1) Spin System and Application to DEPT–HMQC NMR Experiment. Mol. Phys., 104, 2983−2989.
10. GENÇTEN A, ŞAKA İ, GÜMÜŞ S, 2006. PENDANT 13C NMR Spectroscopy Applied to CHn Groups. Turk. J. Phys., 30, 149-155.
11. HOMOR J, PERRY MC, 1994. New Method for NMR Signal Enhancement by Polarization Transfer, and Attached Nucleus Testing. J. Chem. Soc., Chem.Commun., 373−374.
12. HOMOR J, PERRY MC, 1995. Enhancement of the NMR Spectra of Insensitive Nuclei using PENDANT with Long-range Coupling Constants. J.Chem.Soc., Perkin Trans., 2, 533−536.
13. PODKORYTOV IS, 1997. Multipulse NMR Part II. Product Operator Description of Weakly Coupled Two−Spin−1/2 System. Concepts Magn. Reson, 9, 117−137.
14. SφRENSEN OW, EICH GW, LEVITT MH, BODENHAUSEN G, ERNST RR, 1983. Product Operator Formalism for the Description of NMR Pulse Experiments. Prog. NMR Spectrosc., 16, 163−192.
15. WOLFRAM S, 1996. The Mathematica Book, 3rd ed., Wolfram Media/Cambridge University Press, New York. pp.1403.