QCPMG pulse program for topSpin2.1 operating system




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Carr-Purcell-Meiboom-Gill echo train


*** Outline ***


Code for Avance III spectrometers with topSpin2.1 operating system

; qcpmg (TopSpin 2.0)
; AVANCE III
; FAU, 09/05/2007
; written by Stefan Steuernagel
; use rotor-synchronized CPMG train of refocusing pulses to create the echoes

; pulse program for quadrupolar CPMG sequence
; samples continuously, including ALL pulses and ringdown delays
; may be used with digmod digital
; important: only runs via SGU in channel 1

;parameters:
;ns : 16 * n
;d1 : recycle delay
;d3 : time to allow pulse ringdown, 10 to 100 us
;d6 : enter duration of FID
;pl1 : =120 dB, not used
;pl21 : RF power level
;pl22 : =pl21 usually, =120 dB if 180° pulses are not desired
;p3 : 90 degree pulse
;p4 : 180 degree pulse
;p25 : dummy pulse, used for showing cnst1 in ased
;l22 : # of echos to be acquired
;cnst1 : set td to number of acquired complex data points

;$COMMENT=quadrupolar CPMG sequence, samples continuously, pulses blanked out, requires DRU
;$CLASS=Solids
;$DIM=1D
;$TYPE=half integer quadrupoles
;$SUBTYPE=simple 1D
;$OWNER=fabien

#include <Avancesolids.incl>

; "p4=p3*2"
  "cnst1=((d6*2+d3*2+p4)*l22+d6+d3)/dw"
  "p25=cnst1"

define delay rest
  "rest=aq-(cnst1*dw)"

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

1 ze                   ;clear data
2 d1                   ;relaxation delay
  STARTADC
  RESETPHASE
  (p3 pl21 ph1):f1
  d3
  (p4 ph2):f1
  d3 DWL_CLK_ON        ;start acquisition

3 d6 RG_ON
  0.1u RG_OFF
  d3
  (p4 pl22 ph3):f1
  d3
  d6 RG_ON
  lo to 3 times l22    ;next echo

  d6
  d3
  rest RG_OFF
  0.1u DWL_CLK_OFF     ;stop acquisition
  rcyc=2               ;next scan
  10m wr #0            ;save data
exit

;two coherence transfert pathways are selected:
;0Q -> (+1Q, -1Q) -> (-1Q, +1Q) -> ... -> -1Q
ph0=0
ph1=0 2
ph2=1 1 3 3
ph3=1 1 1 1 3 3 3 3
ph30=0
ph31=2 0

;one coherence transfert pathway is selected depending
;on the number L22 of observed echos:
;either 0Q -> +1Q -> -1Q -> ... -> -1Q     if L22 is even
;or     0Q -> -1Q -> +1Q -> ... -> -1Q     if L22 is odd
;ph0=0
;ph1=0 1 2 3
;ph2=1 0 1 0 3 2 3 2 1 0 1 0 3 2 3 2
;ph3=1 0 1 0 3 2 3 2 3 2 3 2 1 0 1 0
;ph30=0
;ph31=2 3 0 1
Carr-Purcell-Meiboom-Gill echo train

Graphic representation associated with the TopSpin2.1 qcpmg.fau pulse program.


Example1: 29Si in TSP-d4 with AV500

Silicon-29 echo train in tsp-d4 acquired with qcpmg pulse program

29Si echo train of TSP-d4 in 4 mm diameter rotor spinning at 10 kHz.


Acquisition parameters:

General  
PULPROG qcpmg.fau
TD 9252
NS 1920
DS 0
SWH [Hz] 20000.00
AQ [s] 0.2313500
RG 114
DW [µs] 25.000
DE [µs] 6.50
const1 9251.456055
CONST11 0.0000000
D1 [s] 30.00000000
D3 [s] 0.00005000
D6 [s] 0.01000000
L22 11
P25 [µs] 0.00
rest [s] 0.00006360
Channel f1  
NUC1 29Si
P3 [µs] 3.00
P4 [µs] 12.40
PL1 [dB] 120
PL1W [W] 0.00000000
PL21 [dB] 6.00
PL21W [W] 130.48197937
PL22 [dB] 6.00
PL22W [W] 130.48197937
SFO1 [MHz] 99.3774009
Silicon-29 echo train in tsp-d4 spinning at 20 kHz with 2.5 mm diameter rotor

29Si echo train of TSP-d4 in 2.5 mm diameter rotor spinning at 20 kHz.


Acquisition parameters:

General  
PULPROG qcpmg.fau
TD 9252
NS 360
DS 0
SWH [Hz] 20000.00
AQ [s] 0.2313500
RG 512
DW [µs] 25.000
DE [µs] 6.50
const1 9250.399414
CONST11 0.0000000
D1 [s] 180.00000000
D3 [s] 0.00005000
D6 [s] 0.01000000
L22 11
P25 [µs] 0.00
rest [s] 0.00009002
Channel f1  
NUC1 29Si
P3 [µs] 5.00
P4 [µs] 10.00
PL1 [dB] 120
PL1W [W] 0.00000000
PL21 [dB] 8.00
PL21W [W] 82.32855988
PL22 [dB] 8.00
PL22W [W] 82.32855988
SFO1 [MHz] 99.3782330

References

  1. Alan W. MacGregor, Luke A. O’Dell, and Robert W. Schurko
    New methods for the acquisition of ultra-wideline solid-state NMR spectra of spin-1/2 nuclides, (119Sn, 195Pt, 199Hg, 207Pb, WURST-CPMG)
    J. Magn. Reson. 208, 103-113 (2011).
    Abstract
     
  2. Ivan Hung and Zhehong Gan
    On the practical aspects of recording wideline QCPMG NMR spectra,
    J. Magn. Reson. 204, 256-265 (2010).
    Abstract
     
  3. Vladimir I. Bakhmutov
    On Hahn-echo measurements of short 29Si T2 times in some silica-based materials
    Solid State Nucl. Magn. Reson. 36, 164-166 (2009).
    Abstract
     
  4. W. J. Malfait and W. E. Halter
    Increased 29Si NMR sensitivity in glasses with a Carr-Purcell-Meiboom-Gill echotrain
    J. Non-Cryst. Solids 354, 4107-4114 (2008).
    Abstract
     
  5. J. W. Wiench, V. S.-Y. Lin, and M. Pruski
    29Si NMR in solid state with CPMG acquisition under MAS
    J. Magn. Reson. 193, 233-242 (2008).
    Abstract
     
  6. Julien Trebosc, Jerzy W. Wiench, Seong Huh, Victor S.-Y. Lin, and Marek Pruski
    Studies of organically functionalized mesoporous silicas using heteronuclear solid-state correlation NMR spectroscopy under fast magic angle spinning
    J. Am. Chem. Soc. 127, 7587-7593 (2005).
    Abstract
     
  7. Dimitris Sakellariou, Jacques-François Jacquinot, and Thibault Charpentier
    2D correlation spectra of isotropic and anisotropic 29Si chemical shifts in crystalline and amorphous natural abundance materials under very slow sample rotation
    Chem. Phys. Lett. 411, 171-174 (2005).
    Abstract
     
  8. Jian Zhi Hu and Robert A. Wind
    Sensitivity-enhanced phase-corrected ultra-slow magic angle turning using multiple-echo data acquisition
    J. Magn. Reson. 163, 149-162 (2003).
    Abstract
     
  9. Flemming H. Larsen and Ian Farnan
    29Si and 17O (Q)CPMG-MAS solid-state NMR experiments as an optimum approach for half-integer nuclei having long T1 relaxation times
    Chem. Phys. Lett. 357, 403-408 (2002).
     
  10. Andrew S. Lipton, Jesse A. Sears, and Paul D. Ellis
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    Abstract
     
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    Effects of diffusion on free precession in nuclear magnetic resonance experiments
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  1. D. Li, A. E. Dementyev, M. Liu, and S. E. Barrett
    NMR studies of spin decoherence in phosphorus-doped silicon
    PDF file (600 kB)
     
  2. B. Blümich
    Introduction to mobile NMR
    PDF file (4.5 MB)
     
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