A Complete Product Operator Theory for IS (I=1, S=1) Spin System and Application to 3D HMQC-COSY NMR Experiment

Creative Commons License

Saka I., Gümüş S., Gençten A.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, cilt.64, sa.5-6, ss.377-386, 2009 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 64 Sayı: 5-6
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1515/zna-2009-5-612
  • Dergi Adı: ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.377-386
  • Anahtar Kelimeler: Product Operator Theory, Spin-1, 3D HMQC-COSY, NMR, DOUBLE-QUANTUM SPECTROSCOPY, THEORETICAL APPLICATION, POLARIZATION TRANSFER, PULSE EXPERIMENTS, ISNKM I=1/2, SPECTRA, NUCLEI, COHERENCE, FORMALISM
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

There exist a variety of multi-pulse NMR experiments for spectral assignment of complex molecules in solution. The conventional heteronuclear multiple-quantum coherence (HMQC) NMR experiment provides correlation between weakly coupled hetero-nuclei. The COSY is one of the most Popular two-dimensional NMR experiment which is used to correlate J-coupled homo-nuclei of spectral assignment. The combination of the conventional HMQC and COSY NMR experiments yields a new experiment called 3D HMQC-COSY NMR experiment. The product operator theory is widely used for the analytical descriptions of multi-pulse NMR experiments for weakly Coupled spin systems in liquids. In this study, complete product operator theory for weakly coupled IS (I = 1, S = 1) spin system is presented by obtaining the evolutions of the product operators under the spin-spin coupling Hamiltonian. As an application and a verification, analytical descriptions of 3D HMQC-COSY NMR experiment are obtained for weakly coupled ISnI'S-m' (I = I' = 1/2; S = S' = 1: n = 1,2,3; m = 1,2) multi-spin systems. Then the estimated spectra of this experiment for various multi-spin systems are explained in detail.