A theoretical investigation of 2D MAXY-JRES NMR spectroscopy of CDnCDm groups

Saka I., Gençten A.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, cilt.63, sa.5-6, ss.339-350, 2008 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 63 Sayı: 5-6
  • Basım Tarihi: 2008
  • Doi Numarası: 10.1515/zna-2008-5-614
  • 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.339-350
  • Anahtar Kelimeler: NMR, MAXY-JRES, product operator formalism, spin-1, PRODUCT OPERATOR-THEORY, DOUBLE-QUANTUM SPECTROSCOPY, SPIN SYSTEM I=1/2, POLARIZATION TRANSFER, SELECTIVE DETECTION, DISTORTIONLESS ENHANCEMENT, H-1-NMR RESONANCES, PULSE EXPERIMENTS, ISNKM I=1/2, SPECTRA
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

There exists a variety of multiple-pulse NMR experiments for spectral editing of complex molecules in solution. Maximum quantum correlation NMR (MAXY NMR) spectroscopy is one of the techniques for distinguishing CHn groups by editing (HNMR)-H-1 spectra. Spectral assignments of 2D homonuclear J-resolved NMR spectroscopy become too difficult, due to complex overlapping spectra. In order to overcome this problem a new technique called 2D MAXYJRES NMR spectroscopy, which is the combination of MAXY NMR and homonuclear J-resolved NMR spectroscopy, is used. In this study, product operator description of 2D MAXY-JRES NMR spectroscopy is performed for ISnI'S-m' (I - I' = 1/2; S = S' = 1; n = 1, 2,3; m = 1, 2) multi-spin systems. Experimental suggestions are made and simulated spectra are presented for the 2D MAXY-JRES NMR experiment. Therefore, it is shown that 2D MAXY-JRES NMR spectroscopy can be used to distinguish CD, CD2 and CD3 groups from each other in CDnCDm groups.