Phonon dispersion and heat capacity of polydichlorobutadiene

Autor:	Poonam Tandon, Archana Gupta, Saba Bee, Neetu Choudhary, V. D. Gupta
Rok vydání:	2010
Předmět:	Work (thermodynamics) Polymers and Plastics business.industry Phonon Chemistry Molecular physics Heat capacity symbols.namesake Optics Normal mode Dispersion (optics) Materials Chemistry Density of states symbols business Matrix method Debye
Zdroj:	Polymer Science Series A. 52:1057-1065
ISSN:	1555-6107 0965-545X
DOI:	10.1134/s0965545x10100081
Popis:	Normal modes and their dispersion have been obtained for trans polydichlorobutadiene (PDCB) in the reduced zone scheme using Wilson’s G F matrix method as modified by Higg’s for an infinite polymeric chain. The Urey Bradley potential field is obtained by least square fitting of the observed infrared and Raman bands. The obtained results agree well with the experimental values. Because of the presence of centre of symmetry, the PDCB molecule obeys the mutual exclusion principle. Several new assignments which are missing in the earlier work are reported. The characteristic features of dispersion curves such as repulsion and exchange of character have been discussed and possible explanation has been given. Heat capacity has been calculated via density-of-states using Debye relation in the temperature range 10–450 K.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a944afca51db97cf26eca034d3506426 https://doi.org/10.1134/s0965545x10100081 Zobrazit plný text záznamu Full text from SpringerLink