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Resonance

Resonance

The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N-O and N=O bonds.

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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,...

Resonance and Hybrid Structures

Resonance and Hybrid Structures

According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.

Structure of Benzene: Molecular Orbital Model

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According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

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...

Valence Bond Theory

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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Related Experiment Video

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Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

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Structural Complexity and Phonon Physics in 2D Arsenenes.

Jesús Carrete¹, Luis J Gallego², Natalio Mingo^3,4

¹Institute of Materials Chemistry, TU Wien , A-1060 Vienna, Austria.

The Journal of Physical Chemistry Letters

|March 14, 2017

Summary

This summary is machine-generated.

Phonon contributions reveal temperature-dependent stability in 2D arsenic (arsenene) phases, challenging previous findings and highlighting the importance of vibrational properties in materials discovery.

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Area of Science:

Condensed Matter Physics
Materials Science
Computational Materials Science

Background:

Recent theoretical studies have proposed several stable two-dimensional (2D) arsenic structures.
Understanding the stability and properties of these novel 2D materials is crucial for their potential applications.

Purpose of the Study:

To re-evaluate the relative stability of proposed 2D arsenic phases.
To investigate the influence of temperature and vibrational properties on structural stability.
To explore the relationship between structural complexity and thermal conductivity in arsenenes.

Main Methods:

Phonon calculations to assess dynamic stability.
Temperature-dependent stability analysis.
Investigation of harmonic and anharmonic vibrational interactions.
Analysis of lattice thermal conductivity.

Main Results:

The relative stability of 2D arsenic phases is temperature-dependent, contrary to previous reports.
One of the proposed arsenene phases is mechanically unstable.
The assumed inverse correlation between structural complexity and thermal conductivity is challenged.
Harmonic interactions, anharmonicity, and crystal symmetries significantly influence thermal conductivity in arsenenes.

Conclusions:

Vibrational properties, particularly phonon contributions, are critical for accurately predicting the stability of 2D materials.
A nuanced understanding of factors beyond structural complexity is needed to predict thermal conductivity.
Theoretical searches for new 2D materials must rigorously incorporate vibrational dynamics.