Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/97686
Type: Artigo de periódico
Title: The Polar Tensors, Atomic Effective Charges, And Infrared Vibrational Intensities Of C6h6, C6d6, And C6f6
Author: De Barros Neto B.
Bruns R.E.
Abstract: The preferred experimental set of signs for the ∂p/∂Q i's of C6H6 and C6D6 have been determined from the gas phase infrared intensities of these molecules. This set for C6H6 is in agreement with the one found previously for this molecule based on data for C6H6, C6H5D, and P-C6H4D2. Polar tensors, atomic mean dipole moment derivatives, anisotropics, and effective charges for C6H6, C6D6, and C6F6 are reported. The isotopic invariance of these quantities as indicators of the correct sign choice for the ∂p/∂Q i's is investigated for C6H6 and C 6D6. Several applications of the G-sum rule are made: (a) its usefulness in pointing out the correct signs of the ∂p/∂Q i is investigated, (b) corrected values for the intensity sums of C6H5D and p-C6H4D2 are calculated, and (c) intensity sums for C6H4F2 and C6H2F4 are predicted. © 1978 American Institute of Physics.
Editor: 
Rights: aberto
Identifier DOI: 
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-36749107722&partnerID=40&md5=34ef31859eeed59333de6a9f75e45ab9
Date Issue: 1977
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
2-s2.0-36749107722.pdf955.72 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.