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Connection among Raman wavenumbers, bond length alternation and energy gap in polyynes
Author(s) -
Milani Alberto,
Tommasini Matteo,
Zerbi Giuseppe
Publication year - 2009
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2342
Subject(s) - raman spectroscopy , alternation (linguistics) , basis (linear algebra) , connection (principal bundle) , wavenumber , diagram , condensed matter physics , hückel method , electron , bond length , distortion (music) , coupling (piping) , band gap , molecular physics , chemistry , materials science , physics , quantum mechanics , molecule , mathematics , geometry , amplifier , philosophy , linguistics , statistics , molecular orbital , cmos , optoelectronics , metallurgy
A theoretical model based on Hückel theory is presented and applied to the infinite linear carbon chain. The effect of Peierls distortion, π‐electron confinement and electron–phonon coupling are interpreted on the basis of measurable parameters such as bond length alternation, electronic gap and Raman wavenumbers. A diagram is presented where the correlation among these quantities is shown on the basis of the model adopted. The effect of π‐electron confinement on experimental data can be directly evaluated, and insights on the physical properties of these materials can be derived. Copyright © 2009 John Wiley & Sons, Ltd.