方法对比

	ATR-FTIR	异核单量子相干 (HSQC)	核 Overhauser 效应光谱 (NOESY)
领域	光谱学	光谱学	光谱学
方法族	Process / pipeline	Process / pipeline	Process / pipeline
起源年份	1961	1980	1981
提出者	Joop Fahrenfort	Anil Kumar	Richard Ernst
类型	Vibrational spectroscopy technique	Heteronuclear correlation sequence	Two-dimensional pulse sequence
开创性文献	Harrick, N. J. (1960). Study of physics of internal reflection from metals. Journal of Physics and Chemistry of Solids, 13(2), 143-155.	Bodenhausen, G., & Ruben, D. J. (1981). Natural abundance nitrogen-15 NMR by enhanced heteronuclear spectroscopy. Chemical Physics Letters, 69(2), 185-189.	Aue, W. P., Bartholdi, E., & Ernst, R. R. (1976). Two-dimensional spectroscopy. Application to nuclear magnetic resonance. The Journal of Chemical Physics, 64(5), 2229-2246.
别名	ATR-IR, attenuated total reflectance, FTIR spectroscopy	HSQC NMR, 1H-13C HSQC, heteronuclear correlation	NOE spectroscopy, 2D NOESY, NOE NMR
相关	3	4	3
摘要	Attenuated Total Reflectance (ATR) Fourier Transform Infrared (FTIR) spectroscopy is a variant of conventional FTIR that measures infrared absorption through evanescent-wave interrogation of samples in direct contact with a high-refractive-index crystal. Developed by Harrick and Fahrenfort in the 1960s, ATR-FTIR is now the dominant form of FTIR spectroscopy, enabling rapid, non-destructive characterization of organic compounds, polymers, coatings, and biological materials without extensive sample preparation.	Heteronuclear Single-Quantum Coherence (HSQC) is a 2D NMR technique that correlates proton and carbon-13 (or other heteronuclei) chemical shifts through one-bond coupling constants (1JHX). Developed in the early 1980s, HSQC rapidly became the workhorse of structural chemistry because it directly maps which carbons bear which protons, providing a comprehensive view of carbon skeleton connectivity and substitution patterns.	Nuclear Overhauser Enhancement Spectroscopy (NOESY) is a 2D NMR technique that detects through-space dipolar coupling between protons, rather than through-bond scalar coupling. Introduced by Macura and Ernst in 1981, NOESY reveals which protons are spatially close in the three-dimensional structure, independent of bonding connectivity. This makes NOESY invaluable for determining molecular conformation, assigning stereochemistry, and elucidating protein folds.