FTIR Spectroelectrochemistry of F4TCNQ Reduction Products and Their Protonated Forms.
FTIR Spectroelectrochemistry of F4TCNQ Reduction Products and Their Protonated Forms.
复制标题
F4TCNQ 还原产物及其质子化形式的 FTIR 光谱电化学。
作者：
Kristen E Watts;Kayla E. Clary;D. Lichtenberger;J. Pemberton
7，7，8，8-四氰基醌二甲烷（TCNQ）的四氟衍生物，2，3，5，6-四氟-7，7，8，8-四氰基醌二甲烷（F4 TCNQ），对于电荷转移络合物的形成和作为有机电子材料中的p-掺杂剂是令人感兴趣的。傅里叶变换红外光谱（FTIR）通常用于了解F4 TCNQ在感兴趣的基质中的氧化还原性质;特别是，F4 TCNQ光谱的ν（C N）区域对F4 TCNQ及其基质之间的电荷转移性质非常敏感。然而，很少有工作已经完成，以了解这些振动模式的变化，在可能的酸/碱化学的存在下。在这里，FTIR光谱电化学与密度泛函理论光谱模拟相结合，用于研究电化学产生的F4 TCNQ自由基阴离子和二价阴离子物种及其与酸的质子化产物。振动模式的HF 4 TCNQ-，形成质子耦合电子转移，被确定，我们证明，该物种是很容易形成的强酸，如三氟乙酸，并在较小程度上，弱酸，如水。这种化学的影响，使用F4 TCNQ作为p-掺杂剂在有机电子材料进行了讨论。
The tetrafluorinated derivative of 7,7,8,8-tetracyanoquinodimethane (TCNQ), 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), is of interest for charge transfer complex formation and as a p-dopant in organic electronic materials. Fourier transform infrared (FTIR) spectroscopy is commonly employed to understand the redox properties of F4TCNQ in the matrix of interest; specifically, the ν(C≡N) region of the F4TCNQ spectrum is exquisitely sensitive to the nature of the charge transfer between F4TCNQ and its matrix. However, little work has been done to understand how these vibrational modes change in the presence of possible acid/base chemistry. Here, FTIR spectroelectrochemistry is coupled with density functional theory spectral simulation for study of the electrochemically generated F4TCNQ radical anion and dianion species and their protonation products with acids. Vibrational modes of HF4TCNQ-, formed by proton-coupled electron transfer, are identified, and we demonstrate that this species is readily formed by strong acids, such as trifluoroacetic acid, and to a lesser extent, by weak acids, such as water. The implications of this chemistry for use of F4TCNQ as a p-dopant in organic electronic materials is discussed.
影响因子：
41.2
作者：
Kiefer, David;Kroon, Renee;Muller, Christian
通讯作者：
Muller, Christian