BABA1: 1D/2D HP decoupling DQ excitation BABA pulse program for TopSpin2.1




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2D double-quantum excitation with BABA1 pulse sequence

Since non-phase cycling is applied to the BABA reconversion pulse, four-phase cycling is applied to the BABA excitation pulse for filtering DQ coherences and four-phase cycling is applied to the detection pulse P1 for selecting the 0Q -> -1Q coherence order jump.


*** Outline ***


Code for Avance III spectrometers with topSpin2.1 operating system

;baba1 (TopSpin 2.0)

;2D SQ-DQ correlation experiment for 1 rotor period recoupling using BABA 
;standard experiment for 1H DQ spectra
;M. Feike, D.E. Demco, R. Graf, J. Gottwald, S. Hafner, and H.W. Spiess JMR A 122, 214-221 (1996)
;written by JOS, 11/12/03

;Avance II+ version
;parameters:
;d1 : recycle delay
;pl1 : for 90 degree BABA pulses
;pl2 : = 120 dB, not used
;pl12 : for decoupling
;cpdprg2 : decoupling sequence (tppm, cw, etc.)
;p1 : 90 degree pulse (in BABA sequence)
;pcpd2 : pulse length in decoupling sequence
;cnst31 : rotation rate in Hz
;ns : n*16
;FnMode: States-TPPI or STATES

;$COMMENT=SQ-DQ experiment with BABA for 1 rotor period
;$CLASS=Solids
;$DIM=2D
;$TYPE=direct excitation
;$SUBTYPE=homonuclear correlation
;$OWNER=Bruker

define delay tau
  "tau=0.5s/cnst31-p1*2"

  "d0=1u"
  "in0=1s/cnst31"

;cnst11 : to adjust t=0 for acquisition, if digmod = baseopt
"acqt0=1u*cnst11"

1 ze
2 10m do:f2                      ;F2 decoupler off
  d1                             ;recycle delay
  (p1 pl1 ph1):f1 (1u cpds2):f2  ;DQ excitation, F2 decoupling
  tau
  (p1 ph10):f1
  (p1 ph11):f1
  tau
  (p1 ph12):f1

  d0                             ;DQ evolution

  (p1 ph2):f1                    ;DQ reconversion
  tau
  (p1 ph20):f1
  (p1 ph21):f1
  tau
  (p1 ph22):f1

  (p1 ph3):f1                    ;detection pulse
  go=2 ph31
  1m do:f2                       ;F2 decoupler off
  10m mc #0 to 2 F1PH(ip1 & ip10 & ip11 & ip12, id0)
exit

ph1= (8) 0 2 4 6                 ; x  y -x -y
ph10=(8) 4 6 0 2                 ;-x -y  x  y
ph11=(8) 2 4 6 0                 ; y -x -y  x
ph12=(8) 6 0 2 4                 ;-y  x  y -x
ph2= 0                           ; x
ph20=2                           ;-x
ph21=1                           ; y
ph22=3                           ;-y
ph3 =0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3
ph31=0 2 0 2 1 3 1 3 2 0 2 0 3 1 3 1
  

References

  1. N. Chandrakumar
    1D double quantum filter NMR studies,
    in Annual Reports on NMR Spectroscopy, Graham A. Webb (Ed.), Elsevier, Amsterdam, vol. 67, pages 265-329 (2009).
    Abstract
     
  2. Mahdy M. Elmahdy, Mihail Mondeshki, Xi Dou, Hans-Jürgen Butt, Hans W. Spiess, Klaus Müllen, and George Floudas
    Slow kinetics of phase transformation in a dipole-functionalized discotic liquid crystal,
    J. Chem. Phys. 131, 114704/1-114704/9 (2009).
    Abstract
     
  3. Ingo Schnell
    Dipolar recoupling in fast-MAS solid-state NMR spectroscopy,
    Prog. Nucl. Magn. Reson. Spectrosc. 45, 145-207 (2004).
    Abstract
     
  4. V. M. Litvinov, M. Bertmer, L. Gasper, D. E. Demco, and B. Blümich
    Phase composition of block copoly(ether ester) thermoplastic elastomers studied by solid-state NMR techniques,
    Macromolecules 36, 7598-7606 (2003).
    Abstract
     
  5. Juraj Pivarč
    Application of the Multiple Quantum NMR Spectroscopy for Investigation of the Dipole-Dipole Couplings in Amorphous Polymers,
    Halle, 4 July 2000.
    Dissertation
     
  6. Stephan Dusold and Angelika Sebald
    Dipolar recoupling under magic-angle spinning conditions,
    in Annual Reports on NMR Spectroscopy, Graham A. Webb (Ed.), Elsevier, Amsterdam, vol. 41, pages 185-264 (2000).
    Abstract
     
  7. Ingo Schnell, Adonis Lupulescu, Siegfried Hafner, Dan E. Demco, and Hans W. Spiess
    Resolution enhancement in multiple-quantum MAS NMR spectroscopy,
    J. Magn. Reson. 133, 61-69 (1998).
    Abstract
     
  8. M. Feike, D. E. Demco, R. Graf, J. Gottwald, S. Hafner, and H. W. Spies
    Broadband multiple-quantum NMR spectroscopy,
    J. Magn. Reson. A 122, 214-221 (1996).
    Abstract
     
  9. Helen Geen, Jeremy J. Titman, Johannes Gottwald, and Hans W. Spiess
    Solid-state proton multiple-quantum NMR spectroscopy with fast magic angle spinning, (DRAMA, adamantane, polycarbonate)
    Chem. Phys. Lett. 227, 79-86 (1994).
    Abstract
     

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Solid-state NMR bibliography for
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Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
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Scandium-45
Sodium-23
Strontium-87
Sulfur-33
Tantalum-181
Titanium-47/49
Vanadium-51
Xenon-131
Zinc-67
Zirconium-91



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