Solid-state NMR pulse programs

We are delighted to provide the solid-state NMR pulse programs, mostly developed or improved by our group. We hope they can be helpful for your research.

Warning and disclaimers

Those pulse programs were only tested on our spectrometer, Jeol ECZ-400R/M1. We cannot guarantee those programs will also work very well on your spectrometer, even the spectrometer model is the same. Importantly, please realize that incorrect parameter values, incompatible programing language, etc., could result in the incorrect execution of the pulse program, and thus might do harm to your probe. Therefore, please carefully check the programs and experimental parameters by yourselves using a dummy load or oscilloscope before running experiments on your samples. We will not be responsible for any loss or damage caused by using the pulse programs and/or information provided here.

If you have any comments or suggestions, please do not hesitate to contact Dr. Rongchun Zhang via email.

We are deeply indebted to the general financial supports from National Natural Science Foundation of China, Natural Science Foundation of Guangdong Province, China, the R&D program of Guangzhou, China, and South China University of Technology. We sincerely appreciate the extensive collaborations with Y. Nishiyama (JEOL), V. Agarwal (TIFR), A. Ramamoorthy (FSU), Y. Ye (JEOL) and so on.

Please modify the filename extension, "txt", to "jxp" when using it on the JEOL solid-state NMR spectrometer.

1. NMR sequence for Multiphase Systems--A combination of CP, RINEPT or NOE

(1) 1D cp-rinept  

Description: To obtain a CPMAS and RINEPT spectrum simultaneously from a single experiment, where  CPMAS and RINEPT spectrum contains the signals of rigid and mobile components, respectively.

Reference: J. Magn. Reson. 2016, 266, 59-66

Download: cp-rinept.txt

(2) 1D cp-noe

Description: Using a combined CP and heteronuclear NOE to enhance the signals of rigid and mobile components, respectively.

Reference: J. Magn. Reson. 2016, 266, 59-66

Download:cpnoe.txt

(3) 1D cp-noe-2s 

Description: Using a combined CP and heteronuclear NOE to separately obtain the 13C spectrum of rigid and mobile components, respectively, from a single experiment.

Reference: J. Phys. Chem. C, 2022, 126, 13311-13318

Download: cp-noe-2s-1D.txt     cp-noe-PolarizationInversion-2s-1D.txt

(4)2D hetcor_cp-noe

Description: Using a combined CP and heteronuclear NOE to separately obtain the 2D 13C-1H HETCOR spectrum of rigid and mobile components, respectively, from a single experiment.

Reference: J. Phys. Chem. C, 2022, 126, 13311-13318

Download: hetcor_cp-noe_2D.txt

(5)2D hetcor_cp-noe_RINEPT  (fast MAS)

Description: To separately and simultaneously obtain the CP and heteronuclear based HETCOR spectrum of rigid and mobile components from a single experiment under fast MAS condition.

Reference: J. Magn. Reson. 2016, 266, 59-66; J. Magn. Reson. 2019, 309, 106615

Download: hetcor_cpnoe_rinept_2d.txt

(6)2D hetcor_cp_RINEPT_rfdr

Description: To separately and simultaneously obtain the CP and RINEPT based HETCOR spectrum of rigid and mobile components via 13C detection from a single experiment under slow MAS conditions. In this pulse sequence, we further implemented RFDR after the acquisition of rigid component signals, which can be canceled by setting the parameter "RFDRflag".

Reference: J. Magn. Reson. 2016, 266, 59-66; J. Magn. Reson. 2019, 309, 106615

Download: hetcor_cp_rinept_rfdr.txt

(7)T1rho-cpmas-rinept

Description: To separately and simultaneously measure the 1H T1rho of rigid and mobile components via 13C detection from a single experiment. 

Reference: J. Magn. Reson. 2023, 357, 107597

Download: T1rho-cpmas-rinept.txt

(8)T1-cpmas-rinept

Description: To separately and simultaneously measure the 1H T1 of rigid and mobile components via 13C detection from a single experiment. 1H T1 was measured using saturation recovery approach.

Reference: J. Magn. Reson. 2023, 357, 107597

Download: saturation_recovery_cpmas-rinept.txt

(9)2D NOE-INADEQUATE

Description: To obtain 13C-13C DQ/SQ INADEQUATE spectrum of rubbers.

Reference: Magnetic Resonance Letters, 2024, 200118

Download: inadequate_hetNOE_2d.txt

2. Single-channel proton-based solid-state NMR spectroscopy (mostly at fast MAS)

(1) 2D 1H-1H SQ/SQ correlation using RFDR

Description: To obtain 1H/1H correlation using RFDR with XY4¹₄ phase cycling

Reference: J. Magn. Reson. 2014, 243, 25-32; J. Magn. Reson. 2015, 252, 55-66

Download: NOESY_rfdr.txt

(2)2D 1H-1H DQ/SQ correlation using RN sequence

Description: To obtain 1H/1H DQ/SQ correlation using (supercycled) RN sequence

Reference: Solid State Nucl. Magn. Reson. 2021, 114, 101734 

Download: RN_2D_2q.txt

(3)2D 1H-1H TQ/SQ correlation using gamma-free sequence at fast MAS

Description: To obtain 1H/1H TQ/SQ correlation using gamma-free sequence with significantly suppressed t1-noise and thus enhanced signal-to-noise ratio

Reference: J. Phys. Chem. C, 2020, 124, 26332-26343

Download:RN_2D_3q.txt

(4)2D 1H-1H TQ/SQ correlation using gamma-free sequence at slow MAS

Description: To obtain 1H/1H TQ/SQ correlation using gamma-free sequence at slow MAS with significantly enhanced signal-to-noise ratio, using CRAMPS to achieve high spectral resolution

Reference: J. Magn. Reson. Open. 2021, 8-9, 100020

Download:TQ_RN_wpmlg_zrot_2D.txt

(5)3D 1H SQ/DQ/SQ correlation

Description: To obtain 3D 1H SQ/DQ/SQ correlation for structural analysis, using RFDR for homonuclear polarization transfer and BABA-xy16 for DQ excitation

Reference: Sci. Rep. 2015, 5, 11810

Download: SQ-DQ-SQ.txt

(6) 3D 1H TQ/DQ/SQ correlation

Description: To obtain 3D 1H TQ/DQ/SQ correlation for structural analysis, either using BABA-xy16 or gamma-free RN sequence for TQ excitation.

Reference: J. Magn. Reson. 2019, 304, 78-86; J. Phys. Chem. C, 2020, 124, 26332-26343

Download: RN_TQ-DQ-SQ.txt   BABA_TQ-DQ-SQ.txt

(7) 3D 1H DQ/DQ/SQ correlation

Description: To obtain 3D 1H DQ/DQ/SQ correlation for structural analysis, using BABA-xy16 for DQ excitation and reconversion

Reference: J. Phys. Chem. B, 2017, 121, 5944-5952

Download: DQ-DQ-SQ.txt

3. Combination of 1H multiple-quantum (MQ) homonuclear (HOMCOR) and 1H-X heteronuclear correlation (HETCOR) in a single experiment at fast MAS

(1) 2D 1H MQ HOMCOR+2D 1H-X HETCOR in a single experiment

Description: To obtain 2D 1H MQ HOMCOR and 1H-X HETCOR spectra from a single experiment at fast MAS

Reference: J. Phys. Chem. Lett. 2021, 12, 12067-12074

Download: TQ_SQ_double_cp_2d.txt    DQ_SQ_double_cp_2d.txt    SQ_SQ_double_cp_2d.txt

(2) 3D 1H MQ HOMCOR+2D 1H-X HETCOR in a single experiment

Description: To obtain 3D 1H MQ HOMCOR and 2D 1H-X HETCOR spectra from a single experiment at fast MAS

Reference: J. Magn. Reson. 2023, 346, 107338

Download:TQ_DQ_SQ_double_cp_3d.txt     SQ_DQ_SQ_double_cp_3d.txt

4. Other sequences under fast MAS conditions

(1) RINEPT

Description: Exactly the same pulse sequence as used in solution NMR

Reference: J. Magn. Reson. 2014, 243, 85-92

Download:  rinept.txt