Magnetic dipole interaction and line widths in NQR: 35Cl NQR spectrum of chloroform

Harihara Subramanian, V. ; Narasimhan, P. T. (1982) Magnetic dipole interaction and line widths in NQR: 35Cl NQR spectrum of chloroform Journal of Molecular Structure, 83 (1-2). pp. 117-125. ISSN 0022-2860

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/002228...

Related URL: http://dx.doi.org/10.1016/0022-2860(82)85169-7

Abstract

35Cl NQR spectra of CHC13 and CDCl3 have been recorded at 77 K with an injection and phase-locked NQR spectrometer. The theoretical 35Cl NQR spectrum of CHC13 has been computed with the inclusion of H-C1 intramolecular magnetic dipole Interaction In the quadrupole Hamiltonian. It has been possible to obtain the H-C1 internuclear distance in the CHC13 molecule by assuming that contributions to 35Cl NQR line width from static electric effects and relaxation effects are the same in CHC13 and CDCl3 and that the magnetic dipole interaction contribution to 35Cl NQR line width in CDCl3 is negligible. The calculated H-C1 distance values are: 2.34 Å for the 'a' site and 2.49 Å for the 'b' site. These values may be compared with the x-ray value of 2.31 Å. It has also been possible to assign the observed NQR frequencies to the appropriate chlorine sites in the unit cell.

Item Type:Article
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ID Code:24232
Deposited On:29 Nov 2010 09:24
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