This article outlines theory and practice of the comparison of calculated and experimental electronic circular dichroism (ECD) curves to determine the absolute configuration of chiral molecules. The focus is on the evaluation of excited-state calculations giving hints at the identification of the correct bandwidth and the application of the so-called "UV shift" as a correction…
Chirality Template
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About the Chirality format
Chirality is a peer-reviewed journal published by Wiley, covering Analytical Chemistry and Chromatography, Molecular spectroscopy and chirality, Asymmetric Synthesis and Catalysis.
| Publisher | Wiley |
|---|---|
| Reference style | Author–year (Chicago) Author–year — (Smith, 2023) in the text Smith, Ada, Ben Jones, and Cara Lee. 2023. "A Representative Article Title." Chirality 12 (3): 45–58.
Formats any DOI in Chirality style. No sign-up. |
| Publishes research in | Analytical Chemistry and Chromatography Molecular spectroscopy and chirality Asymmetric Synthesis and Catalysis Microfluidic and Capillary Electrophoresis Applications Mass Spectrometry Techniques and Applications |
| ISSN | 0899-0042 |
| Citation impact (2-yr) | 1.69 |
| h-index | 95 |
| i10-index | 2,461 |
| Total citations | 87,955 |
| Article processing charge | $3,660 |
| Top institutions publishing here | Centre National de la Recherche Scientifique |
| Journal website | www3.interscience.wiley.com |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Papers published in Chirality per year
Citation impact of Chirality by publication year
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Most-cited papers in Chirality
Essential background on the determination of absolute configuration by way of single-crystal X-ray diffraction (XRD) is presented. The use and limitations of an internal chiral reference are described. The physical model underlying the Flack parameter is explained. Absolute structure and absolute configuration are defined and their similarities and differences are highlighted. The necessary conditions on…
To determine the absolute configuration of chiral compounds, theoretical calculations of ECD spectra have been extensively carried out, where the shape of component CD Cotton effects was approximated by the Gaussian distribution curve. However, in some articles, errors are found in the equations of Gaussian curve expressing CD Cotton effects. In this short review, the…
Lanthanide (III) luminescence is very characteristic: it is characterized by narrow emission bands, large Stokes shift, and a long excited state lifetime. Moreover, chiral lanthanide complexes can emit strongly circularly polarized light in a way that is almost precluded to purely organic molecules. Thanks to the sensitivity and specificity of the Ln circularly polarized luminescence…
Quantum-mechanical calculations of chiroptical properties have rapidly become the most popular method for assigning absolute configurations (AC) of organic compounds, including natural products. Black-box time-dependent Density Functional Theory (TDDFT) calculations of electronic circular dichroism (ECD) spectra are nowadays readily accessible to nonexperts. However, an uncritical attitude may easily deliver a wrong answer. We present to…