各向同性
谱线
固态核磁共振
质子
化学
二维核磁共振波谱
核磁共振波谱
核磁共振谱数据库
偶极子
分辨率(逻辑)
光谱学
核磁共振
分子物理学
物理
立体化学
量子力学
有机化学
计算机科学
人工智能
作者
Pinelopi Moutzouri,Manuel Cordova,Bruno Simões de Almeida,Daria Torodii,Lyndon Emsley
出处
期刊:Angewandte Chemie
[Wiley]
日期:2023-03-16
卷期号:62 (21): e202301963-e202301963
被引量:14
标识
DOI:10.1002/anie.202301963
摘要
Abstract One key bottleneck of solid‐state NMR spectroscopy is that 1 H NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifically, we parametrically mapped errors leading to residual dipolar broadening into a second dimension and removed them in a correlation experiment. In this way pure isotropic proton (PIP) spectra were obtained that contain only isotropic shifts and provide the highest 1 H NMR resolution available today in rigid solids. Here, using a deep‐learning method, we extend the PIP approach to a second dimension, and for samples of L‐tyrosine hydrochloride and ampicillin we obtain high resolution 1 H‐ 1 H double‐quantum/single‐quantum dipolar correlation and spin‐diffusion spectra with significantly higher resolution than the corresponding spectra at 100 kHz MAS, allowing the identification of previously overlapped isotropic correlation peaks.
科研通智能强力驱动
Strongly Powered by AbleSci AI