Modeling glasses using the reverse Monte Carlo algorithm: addition of nuclear magnetic resonance and expanded coordination number constraints

1999 ◽  
Vol 17 (5-6) ◽  
pp. 275-284 ◽  
Author(s):  
J.C McLaughlin ◽  
J.W Zwanziger
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Monte Carlo ◽  
Magnetic Resonance ◽  
Coordination Number ◽  
Monte Carlo Algorithm ◽  
Reverse Monte Carlo ◽  
Nuclear Magnetic

31P and 19F Nuclear Magnetic Resonance Studies of Phosphorus-Fluorine Compounds

1970 ◽  
Vol 25 (11) ◽  
pp. 1199-1214 ◽  
Author(s):  
G. S. Reddy ◽  
R. Schmutzler
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Coordination Number ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Magnetic Resonance Studies ◽  
Nuclear Magnetic Resonance Spectra ◽  
Fluorine Compounds ◽  
Nuclear Magnetic

The nuclear magnetic resonance spectra (31P, 19F) of a variety of compounds containing phosphorus-fluorine bonds have been studied, in continuation of earlier investigations on the same type of compounds.The previously observed relationship between coordination number of phosphorus and δP was generally confirmed, i. e. δP becomes more positive as the coordination number around phosphorus increases. No meaningful substitution rules, either for chemical shifts or for P-F coupling constants, could be established. The data obtained are discussed qualitatively in relation to the electronegativity of the substituents and to the coordination number of phosphorus. Data on the preparation and characterization of numerous phosphorus-fluorine compounds are also included.

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