Vibrational and nonlinear optical properties of amine-capped push-pull polyynes by infrared and Raman spectroscopy

被引：14
作者：
Marabotti, Pietro [1 ]
Milani, Alberto [1 ]
Lucotti, Andrea [2 ]
Brambilla, Luigi [2 ]
Tommasini, Matteo [2 ]
Castiglioni, Chiara [2 ]
Mecik, Patrycja [3 ]
Pigulski, Bartlomiej [3 ]
Szafert, Slawomir [3 ]
Casari, Carlo Spartaco [1 ]
机构：
[1] Politecn Milan, Dept Energy Micro & Nanostruct Mat Lab NanoLab En, Via Ponzio 34-3, I-20133 Milan, Italy
[2] Politecn Milan, Dept Chem Mat & Chem Engn Giulio Natta, Piazza Leonardo Da Vinci 32, I-20133 Milan, Italy
[3] Univ Wroclaw, Fac Chem, 14 F Joliot Curie, PL-50383 Wroclaw, Poland
来源：
CARBON TRENDS | 2021年 / 5卷
基金：
欧洲研究理事会;
关键词：
LINEAR CARBON CHAINS; CHARGE-TRANSFER; 2ND HYPERPOLARIZABILITIES; ORGANIC-MOLECULES; MODEL; 1ST; POLYENES; SPECTRA; SIZE; SCATTERING;
D O I：
10.1016/j.cartre.2021.100115
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The vibrational properties of a series of push-pull polyynes have been studied by infrared and Raman spectroscopy. The simultaneous activation of a strong infrared and Raman mode, i.e. the collective vibration of CC bonds of the sp carbon chain, highlights the effectiveness of a polyyne bridge in promoting charge transfer between the electron donor (D) and acceptor (A) ends, thus suggesting that ad-hoc functionalized polyynes are worth being explored as building blocks of organic materials with attractive first-order optical nonlinearity. The optical, electronic, and vibrational properties of these molecules have been investigated with the support of density functional theory calculations, as well as the electronic and vibrational first hyperpolarizabilities (beta). The mid-low region of the IR spectra (800-1600 cm(-1)) has been analyzed in detail, searching for marker bands of the specific terminations of the different sp carbon chains thus achieving a complete vibrational characterization of sp hybridized push-pull systems. (c) 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)
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页数：11
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