Charge transfer and NQR shift

35Cl NQR studies on molecular complexes at low temperature

Abstract: 35 Cl NQR frequencies were taken for chloranil and a few complexes of chloranil with aromatic hydrocarbons at liquid nitrogen temperature The different lines are assigned to different geometrical arrangements

Quadrupole Resonance Spectrum of Chloranil and Its Hexamethylbenzene Complex

Abstract: The nuclear quadrupole resonance spectrum of Cl in chloranil and in the 1: 1 complex of chloranil with hexamethylbenzene was obtained at 77 tained K and room temperature. The results are used to estimate the upper limit for charge transfer in the complex from chloranil to hexamethylbenzene. Complexes of picrylchloride: hexamethylbenzene and parachloroaniline: sym-trinitrobenzene were also studied but no resonances were detected. (D. L.C.)

Observation de la résonance quadripolaire pure de l'azote et du chlore dans quelques complexes à transfert de charge

Abstract: We have studied nitrogen and chlorine pure quadrupole resonance spectra in some charge transfer complexes with a chloroform molecule as acceptor, the donors being some amino and heterocyclic compounds. A discussion of the present results and consideration of previous data confirm the charge transfer in these complexes. From the observed frequency shifts with respect to the uncomplexed compounds, the charge transfer can be estimated to a few per cent of an electron charge. Nous avons etudie la resonance quadripolaire pure de l'azote et du chlore dans quelques complexes a transfert de charge. L'accepteur y est le chloroforme, tandis que les donneurs y sont des amines ou des heterocycles. La discussion des resultats obtenus, compte tenu de donnees anterieures, semble confirmer le transfert de charge dans ces complexes. L'estimation du transfert, a partir des deplacements de frequence mesures, fournit une valeur egale a quelques centiemes de la charge electronique.

Frequency shift in the NQR spectra of charge transfer complexes

Abstract: In the framework of Mulliken's theory a frequency shift in NQR spectra has been considered. It has been shown that in MO LCAO approximation the frequency shift is proportional to the degree of the charge transfer. For the picrylchloride complexes the linearity of this dependence has been confirmed. It has been shown experimentally that the shift is appreciably affected by steric interactions.