在本研究中，我們合成並分析2-（2'-羥基-5'-苯甲基）苯並三唑衍生物的性質。我們比較了每種化合物的理論和實驗分析。UV-Vis分光光度計被用來偵測波長200-400 nm範圍內的氯仿溶液的UV吸收光譜，來確定所合成化合物的紫外線區域的吸收性質。我們使用計算化學軟件包將實驗結果與理論結果進行了比較。
根據產物的基態（HOMO）和第一激發態（LUMO）分子的電子密度分佈圖，我們確認對於酮-苯並三唑化合物，電子從酮基的HOMO轉移到苯並三唑基團的LUMO，但對於酯-苯並三唑化合物，電子是從苯並三唑基的HOMO轉移到酯基的LUMO。酮-苯並三唑化合物的能隙（3.9 - 4.0 eV）小於酯-苯並三唑化合物的能隙（4.4 - 4.5 eV），此結果歸因於苯並三唑上C3’位置的酮基可以與C2’位置上的氫氧基產生氫鍵，形成穩定的六環的結構，且酯基團位於苯並三唑的鄰位，因此酮-苯並三唑化合物的立體障礙小於與苯基上的氧原子鍵合的酯-苯並三唑化合物的立體障礙。
酮-苯並三唑化合物的最大吸收波長朝向長波長區域移動的紅移，而酯-苯並三唑化合物的最大吸收波長朝向短波長區域的藍移。酮-苯並三唑化合物的紫外吸收光譜在UV-A（315 nm - 400 nm）和UV-B（280 nm - 315 nm）的波長區域有較強的吸收，而酯-苯並三唑化合物的紫外吸收光譜在UV-B（280 nm - 315 nm）和UV-C（200 nm - 280nm）的波長區域有較強的吸收。

In this study, 2-(2’-hydroxy-5’-methylphenyl)benzotriazole derivatives has been synthesized and their properties have been analyzed. The comparison between the theoretical and experimental analysis for each compound has been carried out as well. The properties of each compounds were determined by the UV absorptions spectrum in chloroform solvent at wavelength range from 200 nm to 400 nm using UV-Vis spectrophotometer. We compared the experimental results with theoretical results using computational chemistry software packages.
Based on the results of the ground state (HOMO) and first excited state (LUMO) density mapped surfaces, it was found that for the ketone-benzotriazole compounds, electron density moved from the ketone group as HOMO to the benzotriazole group as LUMO but for ester-benzotriazole compounds, electron density moved from the benzotriazole group as HOMO to ester group as LUMO.
The HOMO-LUMO energy gap of ketone-benzotriazole compounds (3.9 – 4.0 eV) was smaller than that of the ester-benzotriazole compounds (4.4 – 4.5 eV), which is due to the molecular structure of the ketone group is located at the meta position of benzotriazole, which causes the hydrogen bonding resulting in a six-member ring mimic; while the ester group is located at the ortho position of benzotriazole so that the steric hindrance of ketone-benzotriazole compounds were smaller than the steric hindrance of ester-benzotriazole compounds.
The UV absorption of ketone-benzotriazole compounds showed toward the longer wavelength (red shift) while the UV absorption of ester-benzotriazole compounds showed towards the shorter wavelength (blue shift). The UV absorption spectrum of ketone-benzotriazole compounds showed more intense UV-A (315 nm – 400 nm) and UV-B (280 nm – 315 nm) absorption, while the UV absorption spectrum of ester-benzotriazole compounds showed more intense UV-B (280 nm – 315 nm) and UV-C (200 nm - 280nm) absorption.

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