2D NMR simulation (Crystalline solids)

The following examples are the NMR spectrum simulation for crystalline solids. The examples include the illustrations for the following methods:

  • Triple-quantum variable-angle spinning (i.e., 3Q-MAS) using the specialized ThreeQ_VAS() method.

  • Satellite-transition variable-angle spinning (i.e., ST-MAS) using the specialized ST1_VAS() method.

  • Switched Angle Spinning (SAS) using the generic Method() object.

  • MAS-detected Dynamic Angle Spinning (DAS) using the generic Method() object.

  • Correlation of Anisotropies Separated Through Echo Refocusing (COASTER) using the generic Method() object.

  • Phase Adjusted Spinning Sidebands (PASS and QPASS) and Magic-Angle Turning (MAT and QMAT) using the specialized SSB2D() method.

RbNO₃, ⁸⁷Rb (I=3/2) 3QMAS

RbNO₃, ⁸⁷Rb (I=3/2) 3QMAS

Albite, ²⁷Al (I=5/2) 3QMAS

Albite, ²⁷Al (I=5/2) 3QMAS

RbNO₃, ⁸⁷Rb (I=3/2) STMAS

RbNO₃, ⁸⁷Rb (I=3/2) STMAS

Rb₂SO₄, ⁸⁷Rb (I=3/2) SAS

Rb₂SO₄, ⁸⁷Rb (I=3/2) SAS

Co59 (I=7/2) STMAS

Co59 (I=7/2) STMAS

Co59 (I=7/2) STMAS

Co59 (I=7/2) STMAS

Rb₂CrO₄, ⁸⁷Rb (I=3/2) SAS

Rb₂CrO₄, ⁸⁷Rb (I=3/2) SAS

Coesite, ¹⁷O (I=5/2) 3QMAS

Coesite, ¹⁷O (I=5/2) 3QMAS

Coesite, ¹⁷O (I=5/2) DAS

Coesite, ¹⁷O (I=5/2) DAS

Rb₂CrO₄, ⁸⁷Rb (I=3/2) COASTER

Rb₂CrO₄, ⁸⁷Rb (I=3/2) COASTER

Itraconazole, ¹³C (I=1/2) PASS

Itraconazole, ¹³C (I=1/2) PASS

Rb₂SO₄, ⁸⁷Rb (I=3/2) QMAT

Rb₂SO₄, ⁸⁷Rb (I=3/2) QMAT

Wollastonite, ²⁹Si (I=1/2), MAF

Wollastonite, ²⁹Si (I=1/2), MAF

MCl₂.2D₂O, ²H (I=1) Shifting-d echo

MCl₂.2D₂O, ²H (I=1) Shifting-d echo

²H (I=1) 2D sideband-sideband correlation

²H (I=1) 2D sideband-sideband correlation