ChemInform Abstract: Isotope Effect on Chemical Shifts in Hydrogen-Bonded Systems

ChemInform ◽  
2008 ◽  
Vol 39 (26) ◽  
Author(s):  
Poul Erik Hansen
Keyword(s):  
Isotope Effect ◽  
Chemical Shifts ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

The Isotope Effect in Hydrogen-Bonded Systems

1998 ◽  
Vol 12 (29n31) ◽  
pp. 3406-3408
Author(s):  
A. Bussmann-Holder ◽  
K.-H. Michel
Keyword(s):  
Transition Temperature ◽  
Isotope Effect ◽  
Proton Tunneling ◽  
Organic Systems ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ⋯ H ⋯ O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature.

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