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

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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

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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