Mastering the AQA A-Level Chemistry Paper 3 Insert: NMR, IR and Structure Determination | AQA A-Level 化学 Paper 3 插页精讲：核磁、红外与结构解析

📚 Mastering the AQA A-Level Chemistry Paper 3 Insert: NMR, IR and Structure Determination | AQA A-Level 化学 Paper 3 插页精讲：核磁、红外与结构解析

In the January 2022 AQA A-level Chemistry Paper 3, the insert is more than a data sheet: it is the key to converting spectra into structures. Most marks are lost not because students cannot interpret spectra, but because they do not use the insert efficiently under time pressure.

在 2022 年 1 月 AQA A-level 化学 Paper 3 考试中，插页不仅仅是一份数据表，更是把光谱信息转化为分子结构的关键工具。大多数失分并不是因为学生不会解读谱图，而是因为在时间压力下没有高效利用插页。

1. What the Insert Contains | 插页内容概览

The AQA Paper 3 insert typically provides three reference tables: Table A for proton NMR chemical shifts, Table B for carbon-13 NMR chemical shifts, and Table C for infrared absorption data. You should know exactly where each table is before the exam begins.

AQA Paper 3 插页通常提供三张参考表：表 A 是质子核磁共振化学位移，表 B 是碳-13 核磁共振化学位移，表 C 是红外吸收数据。考试开始前，你应当清楚地知道每张表的位置。

The insert is designed to be used alongside the periodic table and your own knowledge of structure analysis. It will not interpret the spectra for you, but it gives the diagnostic ranges you need to justify every functional group and carbon environment you identify.

插页需要与元素周期表以及你自己的结构分析知识配合使用。它不会替你解读谱图，但它提供了你需要的诊断范围，让你能够为识别出的每一个官能团和碳环境提供依据。

2. How to Read Table A: ¹H NMR Chemical Shifts | 表 A 解读：¹H NMR 化学位移

onments attached to electronegative atoms or close to electron-withdrawing groups appear at higher δ values because the nucleus is deshielded.

表 A 给出了不同化学环境中质子的化学位移范围。所有数值都以四甲基硅烷（TMS）为基准，其化学位移定为 δ = 0 ppm。与电负性原子相连或靠近吸电子基团的质子环境会去屏蔽，因此出现在更高的 δ 值处。

Do not memorise every value: instead, learn the five anchor regions: alkyl protons 0.7 - 1.6 ppm, protons next to a carbonyl 2.1 - 2.8 ppm, protons next to oxygen or halogen 3.1 - 4.1 ppm, alkene or aromatic protons 4.5 - 8.5 ppm, and aldehyde or acid protons above 9 ppm.

不要死记每一个数值，而要掌握五个定位区域：烷基氢 0.7 - 1.6 ppm，羰基邻位氢 2.1 - 2.8 ppm，氧或卤素邻位氢 3.1 - 4.1 ppm，烯烃或芳香氢 4.5 - 8.5 ppm，以及醛氢或羧酸氢大于 9 ppm。

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3. Integration and Splitting | 峰面积与自旋耦合

Each ¹H NMR signal has an integration trace that gives the relative number of protons producing that signal. Use the integration ratio to build fragments such as CH₃, CH₂, CH, or OH. If an integration ratio is 3:2:1, the actual numbers must multiply by the same integer to match the molecular formula.

每个 ¹H NMR 信号都有积分曲线，表示产生该信号的质子相对数量。利用积分比可以构建 CH₃、CH₂、CH 或 OH 等片段。如果积分比为 3:2:1，实际质子数必须乘以同一个整数，才能与分子式匹配。

The splitting pattern follows the n + 1 rule: a proton coupled to n equivalent neighbouring protons is split into n + 1 peaks. A quartet means the proton is adjacent to a CH₃ group, a triplet means it is adjacent to a CH₂ group, and a singlet often indicates no adjacent proton or an OH proton.

裂分模式遵循 n + 1 规则：一个质子与 n 个等价的邻近质子耦合，会裂分为 n + 1 个峰。四重峰表示该质子与 CH₃ 相邻，三重峰表示与 CH₂ 相邻，单峰通常表示没有相邻质子，或该质子为 OH。

splitting multiplicity = n + 1

The AQA insert does not give coupling data, but it helps you assign each signal to a proton environment. Exchangeable protons such as OH and NH may disappear if D₂O is added, which is a useful test in structure questions.

AQA 插页不提供耦合数据，但它能帮助你判断每个信号对应的质子环境。可交换质子如 OH 和 NH 在加入 D₂O 后可能会消失，这是结构推断题中一个有用的鉴别方法。

4. How to Read Table B: ¹³C NMR Chemical Shifts | 表 B 解读：¹³C NMR 化学位移

¹³C NMR tells you the number of unique carbon environments in a molecule. Each distinct carbon gives one peak. Two carbons in identical environments, such as the two methyl groups in propan-2-one, give only one peak.

¹³C NMR 可以告诉你分子中独特碳环境的数量。每一种不同的碳给出一个峰。处于相同环境的两个碳，例如丙酮中的两个甲基，只给出一个峰。

Carbon environment | 碳环境	Typical δ / ppm | 典型 δ 值
R-CH₃, R-CH₂-R | 烷基碳	5 - 45
R-CH₂-O, R-CH₂-Cl | 与氧或卤素相连碳	30 - 90
C=C, aromatic C | 烯碳与芳香碳	110 - 160
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