BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > NMR community > News from NMR blogs
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 08-11-2017, 08:52 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,174
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default Boron Isotope Effects in Fluorine NMR Spectra

Boron Isotope Effects in Fluorine NMR Spectra

In previous posts on this BLOG, examples of 1H/2H and 12C/13C isotope effects were discussed. The figure below shows an example of a 10B/11B isotope effect observed in the 19F NMR spectrum of tetrabutyl ammonium tetrafluorobarate.
The spectrum clearly shows two resonances separated by 0.05 ppm with an intensity ratio of approximately 20:80 corresponding to the natural abundances of 10B and 11B, respectively. The low frequency resonance is due to 11BF4-. Since 11B is a spin I = 3/2 nuclide we observe a 1:1:1:1 quartet with J = 1.25 Hz corresponding to the one bond 19F - 11B coupling. The high frequency resonance is due to 10BF4-. Since 10B is a spin I = 3 nuclide we observe a very poorly resolved 1:1:1:1:1:1:1 septet with J ~ 0.4 Hz corresponding to the one bond 19F - 10B coupling.


Source: University of Ottawa NMR Facility Blog
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
Mechanism of Flavoprotein l-6-HydroxynicotineOxidase: pH and Solvent Isotope Effects and Identification of KeyActive Site Residues
Mechanism of Flavoprotein l-6-HydroxynicotineOxidase: pH and Solvent Isotope Effects and Identification of KeyActive Site Residues http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.6b01160/20170126/images/medium/bi-2016-01160d_0007.gif Biochemistry DOI: 10.1021/acs.biochem.6b01160 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/N2z8-BteVuA More...
nmrlearner Journal club 0 01-27-2017 12:00 AM
Solvent and H/D Isotope Effects on the Proton TransferPathways in Heteroconjugated Hydrogen-Bonded Phenol-Carboxylic AcidAnions Observed by Combined UV–vis and NMR Spectroscopy
Solvent and H/D Isotope Effects on the Proton TransferPathways in Heteroconjugated Hydrogen-Bonded Phenol-Carboxylic AcidAnions Observed by Combined UV–vis and NMR Spectroscopy Benjamin Koeppe, Jing Guo, Peter M. Tolstoy, Gleb S. Denisov and Hans-Heinrich Limbach http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja400611x/aop/images/medium/ja-2013-00611x_0015.gif Journal of the American Chemical Society DOI: 10.1021/ja400611x http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...
nmrlearner Journal club 0 05-09-2013 04:04 AM
[U. of Ottawa NMR Facility Blog] Isotope Effects and the 19F - 13C HMQC Spectrum of Trifluoroacetic Acid
Isotope Effects and the 19F - 13C HMQC Spectrum of Trifluoroacetic Acid The 19F - 13C HMQC spectrum of trifluoroacetic acid is shown in the figure below. http://4.bp.blogspot.com/-roN1Zav9lO8/UIWplTlt8WI/AAAAAAAAA-o/G0N2j7vkqns/s400/tfa1.jpg The data were collected with a delay appropriate for a 19F - 13C J coupling constant between the 1JF-C coupling constant of 284 Hz and the 2JF-C coupling constant of 44 Hz. The top and side traces are the one-pulse 19F and 13C spectra, respectively. Why are the HMQC responses not at the same 19F chemical shift and why aren't they correlated...
nmrlearner News from NMR blogs 0 10-22-2012 09:07 PM
[Question from NMRWiki Q&A forum] Help for Boron 11 NMR!
Help for Boron 11 NMR! I'm using a Bruker 300 NMR, equipped with a BBO probe, to do Boron 11 NMR. But I got no signal no matter what pulse length or scan width I set, I don't know whether it's related with the borosilicate tubes I use, or should I use quartz ones. Could someone here give me some advice? Thank you! Check if somebody has answered this question on NMRWiki QA forum
nmrlearner News from other NMR forums 0 08-21-2011 04:55 AM



Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 08:49 AM.


Map