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1996[X]
1Author    N. Sathyan, V. Santhanam, J. SobhanadriRequires cookie*
 Title    Conformational Analysis of Chloromethylenimine and its Hydrogen-Bonded Dimers with Water from the Study of Nuclear Quadrupole Interactions  
 Abstract    A molecular conformation study on N-Chloromethylenimine and its 1:1 dimeric form with water has been carried out using the ab-initio method at 6-31 G and 6-31 G* basis set. We consider the two most stable conformers of the N-chloromethylenimine -water binary mixture involving double hydrogen bonds. In all cases the proton affinity has been calculated. Each system considered in this work has the nuclear quadrupole interactions of the nitrogen and chlorine resonant nuclei which have been calculated and compared. It is found that the nuclear quadrupole coupling constant for the nitrogen nucleus increases in the hydrogen bonded complexes and decreases for the chlorine nucleus compared to the monomeric values. The influence of proton affinity is reflected in the nuclear quadrupole coupling constant. 
  Reference    Z. Naturforsch. 51a, 534—536 (1996); received November 20. 1995 
  Published    1996 
  Keywords    N-Chloromethylenimine, Water, Hydrogen bond Nuclear Quadrupole Coupling Con-stant, Proton Affinity, Ab-initio 
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 TEI-XML for    default:Reihe_A/51/ZNA-1996-51a-0534.pdf 
 Identifier    ZNA-1996-51a-0534 
 Volume    51