本實驗分別利用2-(2’-羥基-5’-叔丁基苯基)苯並三唑(Tinuvin PS)及2-(2’-羥基-5’-叔辛基苯基)苯並三唑(Tinuvin 329)作為起始物，合成出2-（2'-羥基-3'- 2-羥基乙氧基-5'-叔丁基苯基）苯並三唑(1)、2-（5'-叔丁基苯基-2'-甲氧基苯基）苯並三唑(2)、2-（2'-羥基-3'-甲氧基羰基亞乙基-5'-叔丁基苯基）苯並三唑(3)、2-（2'-羥基-3'-羥基羰基亞乙基-5'-叔丁基苯基）苯並三唑(4)、2-（2'-羥基-3'- 2-羥基乙氧基-5'-叔辛基苯基）苯並三唑(5)、2-（5'-叔辛基苯基-2'-甲氧基苯基）苯並三唑(6)、2-（2'-羥基-3'-甲氧基羰基亞乙基-5'-叔辛基苯基）苯並三唑(7)、2-（2'-羥基-3'-羥基羰基亞乙基-5'-叔辛基苯基）苯並三唑(8)等衍生物。溶於氯仿中，以溶液態測定衍生物的紫外線吸收光譜，探討其在溶液狀態下的紫外線吸收，並與起始物相比較，用理論計算採用密度泛函理論方法驗證並解釋實驗結果。利用分子軌域來分析化合物在激發態進行分子內質子轉移的傾向，並由理論計算結果討論紫外線吸收峰來自何種能階之電子躍遷。根據紫外線吸收光譜結果，推測在三號碳上具有碳氧共軛雙鍵的取代基，可以在短波長處提升吸收強度，提升分子內氫鍵強度可有效提升長波長吸收，並探討不同類型的苯並三唑類修飾上相同的取代基時，在紫外線光譜上的變化。最後將化合物(3)溶於不同溶劑中測其在紫外線吸收光譜上的改變，並解釋不同溶劑對紫外線吸收劑的影響。

In the present study, we used 2-(2'-hydroxy-5'-tertbutylphenyl)benzotriazole and 2-(2'-hydroxy-5'-tertoctylphenyl)benzotriazole as starting material to synthesize Compound(1)~Compound(8). Each of the derivatives was dissolved in chloroform, respectively, to measure the UV absorption. Spectroscopic measurements of UV absorption in solution state and theoretical calculations with density functional theory (DFT) method were employed to characterize these UV absorbers. By employing molecular orbital analysis, it was found that several compounds tend to transfer intramolecular proton in excited state and investigated which electronic energy level transitions contribute to the several UV absorption bands by theoretical calculation results.
According to the results of UV absorption, it was found compounds with C=O double bond groups at C'-3 position, could strengthen the conjugation system and promote the intensity of UV absorption in short wavelength. Moreover, compound with strong intramolecular hydrogen bonding had great intensity of UV absorption in long wavelength. Discussing solvent impact on Compound(3), several solvents were used to measure the UV absorption and studied the influence of solvent property to the absorption.

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