3Q HETCOR pulse program for topSpin2.1 operating system and spin I = 5/2, 7/2 and 9/2 systems




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3Q-hetcor pulse sequence

Code for Avance III spectrometers with topSpin2.1 operating system

;mqhetcor (TOPSPIN 2.0)

; 3Q HETCOR experiment for spin-5/2, spin-7/2, and spin-9/2 nuclei
; 3Q in the indirect dimension for the quadrupole nucleus
; MAS in the direct dimension for the spin-1/2 nucleus
; uses a saturation pulse train on the spin-1/2, which is important
; if T1 of spin-1/2 is long

; written by Stefan Steuernagel (031201)
; adapted to Bruker convention from the original version of Christian Fernandez 

;Avance II+ version
;parameters:
;ns : 48 * n
;d1 : recycle delay, acc. to T1 of spin-5/2
;d20 : delay in saturation pulse train
;l20 : # of pulses in saturation pulse train
;pl1 : spin-1/2 power level for CP and 90 degree pulses
;pl11 : power level for Al excitation and conversion pulses
;pl2 : =119 dB, not used
;pl3 : =119 dB, not used
;pl12 : power level used in cw, tppm15, or pidec12 
;pl13 : power level used in cw13, tppm13, or pidec13
;sp0 : spin-n/2 power level for CP
;cpdprg2 : decoupling sequence for quadrupole nucleus
;cpdprg3 : optional decoupling for 3rd nucleus
;p1 : 3Q excitation pulse
;p2 : 3Q conversion pulse
;p11 : spin-1/2 90 degree pulse at pl1
;p15 : contact time
;pcpd2 : pulse length in f2 decoupling sequence
;pcpd3 : pulse length in f3 decoupling sequence
;spnam0 : square.100, to use ramp is not recommended here
;d0 : =1u or longer
;cnst10 : =19/12 (I=5/2), =101/45 (I=7/2), =91/36 (I=9/2)
;d10 : =d0*cnst10, incremented within pulse program
;in0 : 1 rotation period for synchronised experiment
;in0 = inf1
;td1 : number of t1-experiments
;FnMODE : States
;zgoptns : -Dpidec, or -Dxix

;$COMMENT=3Q HETCOR (CP based) between spin-1/2 and spin-5/2, -7/2, or -9/2
;$CLASS=Solids
;$DIM=2D
;$TYPE=half integer quadrupoles
;$SUBTYPE=heteronuclear correlation

;$OWNER=Bruker
# ifdef xix
"pcpd=(1s*l31)/cnst31+p29"
;p29 : 5 - 10 us, to avoid exact rotor synchronisation
# endif /* xix */

# ifdef pidec
"d30=1s/cnst31-p22"
;p22 : 180 degree pulse for pi-pulse decoupling
# endif /* pidec */
;cnst11 : to adjust t=0 for acquisition, if digmod = baseopt
"acqt0=1u*cnst11"

1 ze
2 d1 do:f3 do:f2
 "d10=d0*cnst10"
saturate, d20 
      (p11 pl1 ph0):f1
      lo to saturate times l20
  (p1 pl11 ph1):f2
  d0 
  (p2 ph2):f2
  d10 
  (p15 pl1 ph15):f1 (p15:sp0 ph16):f2   
  (1u cpds2):f2 (1u cpds3):f3 
  go=2 ph31
  3m do:f3 do:f2
  10m mc #0 to 2 F1PH(ip1,id0)
exit

ph0=      0
ph1=(12) {0 2 4 6 8 10}*4            {2 4 6 8 10 0}*4
ph2=     {0}*6  {1}*6  {2}*6  {3}*6 
ph16=     1 3
ph15=     0 
ph31=    {0}*24                      {2}*24
  

References

  1. A. Goldbourt, E. Vinogradov, G. Goobes, and S. Vega
    High resolution heteronuclear correlation NMR spectroscopy between quadrupolar nuclei and protons in the solid state,
    J. Magn. Reson. 169, 342-350 (2004).
    Abstract
     

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[Contact me] - Last updated December 16, 2012
Solid-state NMR bibliography for
Aluminum-27
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Arsenic-75
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Cesium-133
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Gold-197
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Molybdenum-95/97
Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
Potassium-39/41
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Rubidium-85/87
Ruthenium-99/101
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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