1D only HETCOR pulse program for topSpin2.1 operating system




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Hx-hetcor pulse sequence

No homonuclear H-H decoupling during t1 period.


Hx-hetcor pulse sequence with FSLG homonuclear dipole decoupling

FSLG homonuclear H-H decoupling during t1 period.


Hx-hetcor pulse sequence with DUMBO homonuclear dipole decoupling

DUMBO homonuclear H-H decoupling during t1 period.


Code for Avance III spectrometers with topSpin2.1 operating system

;hxhetcor1D (TOPSPIN 2.0)

; heteronuclear correlation between protons and X nuclei
; with or without homonuclear decoupling during t1
; possible decoupling schemes are FSLG, PMLG, and DUMBO
; see e.g.: B.-J. van Rossum, H. Foerster, and H.J.M. deGroot, J. Magn. Reson. 124 (2003) 516-519
; create dumbo pulse using AU program dumbo
; create pmlg pulse using AU program pmlg_shape

; written by Stefan Steuernagel (031201)

;Avance II+ version
;parameters:
;ns : 2, n*4
;d1 : recycle delay
;pl1 : power level for X contact
;sp0 : proton power level during contact
;pl2 : =120dB, not used
;spnam0 : e.g. ramp.100 
;spnam1 : lgs-1, lgs-4 or pmlg-36, or dumbo1, set p10 to appropriate multiple of LG period
;pl12: for decoupling and excitation 1H
;sp1: for homonuclear decoupling DUMBO, PMLG
;pl13: for homonuclear decoupling FSLG
;p3 : 1H 90 degree pulse
;p10 : duration of phase modulated shape pulse
;p15 : contact time, short: 50 - 200 us
;pcpd2 : pulse length in decoupling sequence
;phcor3 : phase correction for optimal FSLG peformance: minimize zero frequency glitch in F1
;cpdprg2 : cw, tppm15, spinal64
;cnst20 : LG-RF field as adjusted, in Hz used to calculate cnst22 and cnst23 +and - LG frequency
;cnst21 : additional LG offset, usually =0
;cnst22 : +ve LG offset
;cnst23 : -ve LG offset
;cnst24 : offset for proton evolution under LG, usually 0 - -2000
;l0 : =0, increment for t1
;zgoptns : -Dfslg, -Ddumbo, -Dpmlg, -Dnodec
;d0 : =3u

;$COMMENT=HETCOR (CP based), with or w/o homonuclear decoupling during t1, various schemes possible
;$CLASS=Solids
;$DIM=1D
;$TYPE=cross polarisation
;$SUBTYPE=heteronuclear correlation
;$OWNER=Bruker

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

define pulse pma                        ;54.7 = magic angle
"pma=(p3*547)/900"

#ifdef fslg
#include <lgcalc.incl>
#endif /* fslg */

1 ze
2 10m do:f2
  d1                                    ;recycle delay
  1u fq=cnst21:f2
  (p3 pl12 ph0):f2                      ;proton 90 pulse

#ifdef nodec                            ;no homonuclear H-H decoupling during t1 period
  d0
#endif /* nodec */

#ifdef dumbo
  (pma ph1):f2
  1u fq=cnst24:f2
3 (p10:sp1 ph3):f2
  lo to 3 times l0
  (pma ph7 pl12 fq=cnst21):f2
#endif /* dumbo */

#ifdef pmlg
  (pma ph1):f2
  1u fq=cnst24:f2
3 (p10:sp1 ph3:r):f2
  lo to 3 times l0
  (pma ph7 pl12 fq=cnst21):f2           ;magnetization back to the xy plane for spin-locking
#endif /* pmlg */

#ifdef fslg
  (pma ph1):f2                          ;magnetization in the plane perpendicular to the 
                                        ;effective magnetic field
  1u fq=cnst24:f2
3 (p5 fq=cnst22 pl13 ph3):f2
  (p5 fq=cnst23 ph4):f2
  (p5 fq=cnst22 ph3):f2
  (p5 fq=cnst23 ph4):f2
  lo to 3 times l0
  (pma ph7 pl12 fq=cnst21):f2           ;magnetization back to the xy plane for spin-locking
#endif /* fslg */

  (p15 pl1 ph2):f1 (p15:sp0 ph10):f2    ;CP contact time
  1u cpds2:f2
  go=2  ph31
  1m do:f2
  10m wr #0
exit

ph0= 1 3
ph1= 1
ph2= 0 0 2 2 1 1 3 3
ph3= 0 
ph4= 2
ph7= 3
ph10=0
ph31=0 2 2 0 1 3 3 1
  

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[Contact me] - Last updated December 16, 2012
Solid-state NMR bibliography for
Aluminum-27
Antimony-121/123
Arsenic-75
Barium-135/137
Beryllium-9
Bismuth-209
Boron-11
Bromine-79/81
Calcium-43
Cesium-133
Chlorine-35/37
Chromium-53
Cobalt-59
Copper-63/65
Deuterium-2
Gallium-69/71
Germanium-73
Gold-197
Hafnium-177/179
Indium-113/115
Iodine-127
Iridium-191/193
Krypton-83
Lanthanum-139
Lithium-7
Magnesium-25
Manganese-55
Mercury-201
Molybdenum-95/97
Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
Potassium-39/41
Rhenium-185/187
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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