| 光谱学与光谱分析 |
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| Infrared Band Assignments and Structure of Even-Numbered 2-Alkyl-7,7,8,8-Tetracyanoquinodimethane in Cast Films ——Two Components of the CH2 Scissoring Vibrations not Related to Crystal Field Splitting |
| WANG Hai-shui1, YANG Yan-hua1, OZAKI Yukihiro2 |
1. School of Chemistry & Chemical Engineering, South China University of Technology, Guangzhou 510640, China
2. Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda 669-1337, Japan |
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Abstract Infrared (IR) spectra were measured for 2-octyl-, 2-dodecyl-, and 2-octadecyl-7,7,8,8-tetracyanoquinodimethane (C8TCNQ, C12TCNQ and C18TCNQ) in cast films, and it was found that each spectrum shows two components for the CH2 scissoring band at 1 471 and 1 462 cm-1. Polarized IR measurements showed that the micro-crystallites in the cast films take a random orientation in the plane of the plate. The intensity ratio of the two bands at 1 471 and 1 462 cm-1 (I1 471/I1 462) decreases observably with the increase in the length of the alkyl chain. Moreover, the relative intensity of the 1 471 cm-1 CH2 band to a band at 1 529 cm-1 (CC stretching mode of the TCNQ chromophore ring) does not change significantly for the three kinds of CnTCNQ while the relative intensity of the 1 462 cm-1 CH2 band to the band at 1 529 cm-1 increases markedly with the length of the alkyl chain. The above variations of the CH2 scissoring doublet of CnTCNQ are quite different from those of long-chain fatty acids (stearic acid and lignoceric acid) where the splitting of the CH2 scissoring vibration occurs due to a crystal field splitting. Considering the crystal structure of C12TCNQ and the above spectral variations, the authors assign the two components of the CH2 scissoring bands at 1 462 and 1 471 cm-1 of the CnTCNQ cast films to the interdigitated and non-interdigitated parts of the alkyl chains, respectively. Furthermore, the conclusion that the length of the non-interdigitated part of the alkyl chain is almost unchanged in the three kinds of even-numbered CnTCNQ could also be reached.
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Received: 2009-05-10
Accepted: 2009-08-20
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Corresponding Authors:
WANG Hai-shui
E-mail: hswhsw2000@yahoo.com.cn
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