富碳有机物的芳构化与其可见光电子吸收边的直接关系
Direct correlation between aromatization of carbon- rich organic matter and its visible electronic absorption edge
摘要：
利用漫反射紫外-可见吸收光谱研究了Ⅰ、Ⅱ、Ⅲ型干酪根的电子吸收边的演化。所有干酪根的电子吸收边的函数形式与“Urbach尾”现象非常吻合。从可见光范围内的指数拟合中提取的Urbach衰减宽度与孤立干酪根中的脂肪族/芳香族比率强烈相关，而不管干酪根类型。没有发现衰减宽度和芳香族簇的平均尺寸之间的相关性，这是解释在光学吸收的非线性增加与由13 C NMR确定的芳香族簇的尺寸增加。此外，用密度泛函理论计算干酪根的代用系综模型的吸收光谱与实验结果吻合得很好。衰变宽度与常规成熟度指标（如镜质组反射率）的相关性在特定的干酪根类型中表现良好，但在不同的干酪根类型中并不一致，这反映了具有相同镜质组反射率的不同类型干酪根类型的体积组成的系统变化。可见漫反射吸收光谱法是一种快速、准确、无损的干酪根成熟度和化学组成监测方法。通过这种方法提供的油母岩的化学洞察力与其光学吸收有关，可以用于快速筛选用于电子和光学装置的油母岩，代替官能化的生产的碳。
英文摘要：
The evolution of the electronic absorption edge of type I, II and III kerogen is studied by diffuse reflectance UV-Visible absorption spectroscopy. The functional form of the electronic absorption edge for all kerogens measured is in excellent agreement with the "Urbach tail" phenomenology. The Urbach decay width extracted from the exponential fit within the visible range is strongly correlated with the aliphatic/aromatic ratio in isolated kerogen, regardless of the kerogen type. No correlation is found between the decay width and the average size of aromatic clusters, which is explained in terms of a non-linear increase in optical absorption with increasing size of the aromatic clusters determined by 13C NMR. Further, absorption spectra calculated with density functional theory calculations on proxy ensemble models of kerogen are in excellent agreement with the experimental results. The correlation of the decay width with conventional maturity indicators such as vitrinite reflectance is found to be good within a particular kerogen type, but not consistent across different kerogen types, reflecting systematic variations in bulk composition for different type kerogen types with the same vitrinite reflectance. Thus, diffuse reflectance visible absorption spectroscopy is presented as a rapid, calibrated and non-destructive method to monitor both the maturity and the chemical composition of kerogen. The chemical insight of kerogen in relation to its optical absorption provided by this methodology may serve for rapid screening of kerogen for electronics and optical devices in place of functionalized produced carbon.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
