NMR@
CEMHTI
[
Log In
]
Home
>
Dmfit
>
How to...
>
QUAD...
>
Quad 1st MAS
Home
Dmfit
Download
Compatibility...
Acknowledge
File Formats
Bruker files
Simpson files
CSDM .csdf files
Examples
How to...
Gauss/Lorentz...
Gauss/Lorentz lines...
spinning sidedbands...
CSA...
CSA Static
CSA MAS
QUAD...
Quad 1st static
Quad 1st MAS
Quad 2nd order...
Examples...
27Al Glass...
QUA + CSA
JMultiplet
Fit 2D...
2D Homonuclear
ZrP2O7
2D Heteronuclear
MQMAS
27Al MQMAS Glass...
Glass spectra...
27Al 1D Glass...
27Al MQMAS Glass...
TOP procedure
Errors...
Model Paramaters
FID Processing
Bug report...
EditNMR
Baseline Corrector
NMR pubs
NMR isotopes
Frequencies
RMN-France
CEMHTI
NMR team
facility
TGIR RMN in Infranalytics
RMN GbP
Fitting First Order Quadrupolar MAS spinning sideband patterns...
Example :
2D MAS spectrum of Methiodine fitted to 1st order
 
Example :
23Na MAS spectrum of Sodium Nitrate NaNO3
 
Quadrupolar tensor definition :
principal values are sorted |Vyy|<=|Vxx|<=|Vzz|
note that Vxx and Vyy have signs opposite to that of Vzz - usually NMR is not sign sensitive for EFG
Vzz+Vxx+Vyy=0
etaQ is the anisotropy of the Quadrupolar tensor etaQ=Vyy-Vxx/Vzz
with 0<=EtaQ<=1
and thus Vxx=1/2 (-EtaQ-1)Vzz and Vyy=1/2 (EtaQ-1)Vzz
Under construction - Construction en cours....
Old link - Ancien lien :
Remarks & Comments - Remarques & commentaires :
email