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Related Concept Videos

Molecules with Multiple Chiral Centers02:25

Molecules with Multiple Chiral Centers

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Molecules that possess multiple chiral centers can afford a large number of stereoisomers. For instance, while some molecules like 2-butanol have one chiral center, defined as a tetrahedral carbon atom with four different substituents attached, several molecules like butane-2,3-diol have multiple chiral centers. A simple formula to predict the number of stereoisomers possible for a molecule with n chiral centers is 2n. However, there can be a lower number where some of the stereoisomers are...
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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
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Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
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Prochirality

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The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
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Fischer Projections

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Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines.
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Chiral Plasmonic Ellipsoids: An Extended Mie-Gans Model.

Tharaka Perera1, Sudaraka Mallawaarachchi1,2, Malin Premaratne1

  • 1Advanced Computing and Simulation Laboratory (AχL), Department of Electrical and Computer Systems Engineering, Monash University, Clayton, Victoria 3800, Australia.

The Journal of Physical Chemistry Letters
|November 11, 2021
PubMed
Summary
This summary is machine-generated.

A new model describes the chiroptical behavior of chiral metal nanoparticles (MNPs). This theory accurately predicts experimental results and can be extended for metamaterial design.

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Area of Science:

  • Plasmonics
  • Nanophotonics
  • Chiroptical Spectroscopy

Background:

  • Mie-Gans theory is standard for nonchiral metal nanoparticles (MNPs).
  • A theory for chiroptical characterization of elongated chiral MNPs is currently lacking.
  • Elongated chiral MNPs show promise in various applications.

Purpose of the Study:

  • To develop an *ab initio* model for chiral ellipsoidal MNPs.
  • To provide a theoretical framework for chiroptical behavior of chiral MNPs.
  • To enable accurate prediction and design of chiral MNP-based devices.

Main Methods:

  • Developed an *ab initio* model for chiral ellipsoidal MNPs.
  • Validated the model against the Mie-Gans model for nonchiral cases.
  • Compared model predictions with numerical simulations and experimental data.

Main Results:

  • The model accurately characterizes chiroptical behavior of chiral ellipsoidal MNPs.
  • It reduces to the Mie-Gans model under nonchiral conditions.
  • The model's predictions align with simulations and experimental measurements.

Conclusions:

  • The presented model fills a critical gap in characterizing chiral MNPs.
  • It offers insights into factors influencing chiroptical activity.
  • The model is applicable to metamaterial design and future chiral MNP research.