Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy

Agarwal NR, Lucotti A, Fazzi D, Tommasini M, Castiglioni C, Chalifoux WA, Tykwinski R (2013)

Publication Type: Journal article, Original article

Publication year: 2013

Journal

Journal of Raman Spectroscopy Wiley-Blackwell

Original Authors: Agarwal N.R., Lucotti A., Fazzi D., Tommasini M., Castiglioni C., Chalifoux W.A., Tykwinski R.R.

Publisher: Wiley-Blackwell

Book Volume: 44

Pages Range: 1398-1410

Journal Issue: 10

DOI: 10.1002/jrs.4300

Abstract

Symmetrically and unsymmetrically endcapped polyynes (triisopropylsilyl - TIPS - and super trityl endcapping groups) have been studied with density functional theory calculations and Raman and infrared spectroscopy. This spectroscopic investigation provides general guidelines for studying the vibrational and structural features of sp-carbon-based materials, which nowadays are at the center of growing interest for the potential applications of nanostructured carbon materials in molecular electronics. On the basis of the description of CC stretching modes of polyynes in terms of longitudinal optical phonons of the parent infinite sp-carbon chain, we have carried out the complete assignment of the observed infrared and Raman features in the 2300-1900 cm range, for chain lengths in the range 4-20 triple bonds. This allows demonstration of polarization effects induced by an unsymmetric structure and deviations from chain linearity in long polyynes. Copyright © 2013 John Wiley & Sons, Ltd.

Authors with CRIS profile

Rik Tykwinski Lehrstuhl für Organische Chemie I

Involved external institutions

Politecnico di Milano IT Italy (IT) Italian Institute of Technology / Istituto Italiano di Tecnologia (IIT) IT Italy (IT)

How to cite

APA:

Agarwal, N.R., Lucotti, A., Fazzi, D., Tommasini, M., Castiglioni, C., Chalifoux, W.A., & Tykwinski, R. (2013). Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy. Journal of Raman Spectroscopy, 44(10), 1398-1410. https://doi.org/10.1002/jrs.4300

MLA:

Agarwal, N. R., et al. "Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy." Journal of Raman Spectroscopy 44.10 (2013): 1398-1410.

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