The role of the crystal lattice in the electronic spectra of the hexacyanocobaltate ion. 2. Franck-Condon analysis of the luminescence

1980 ◽  
Vol 84 (2) ◽  
pp. 194-197 ◽  
Author(s):  
Ursula Mazur ◽  
K. W. Hipps
Keyword(s):  
Crystal Lattice ◽  
Electronic Spectra ◽  
Franck Condon

Crystal structure and lattice energetics of 10-methylacridinium halides

2000 ◽  
Vol 53 (8) ◽  
pp. 627 ◽  
Author(s):  
Piotr Storoniak ◽  
Karol Krzyminski ◽  
Pawel Dokurno ◽  
Antoni Konitz ◽  
Jerzy Blazejowski
Keyword(s):  
Crystal Lattice ◽  
Lattice Energy ◽  
Enthalpies Of Formation ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molecular Arrangement ◽  
Van Der Waals Contacts ◽  
Chloride Monohydrate ◽  
Insight Into

The crystal structures of 10-methylacridinium chloride monohydrate, bromide monohydrate and iodide were determined by X-ray analysis. The compounds crystallize in the triclinic space group, P¯1, with 2 molecules in the unit cell. The molecular arrangement in the crystals revealed that hydrogen bonds (in hydrates) and van der Waals contacts play a significant part in intermolecular interactions. To discover their nature, contributions to the crystal lattice energy arising from electrostatic (the most important since the compounds form ionic crystals), dispersive and repulsive interactions were calculated. Enthalpies of formation of the salts, their stability and susceptibility to decomposition could be predicted from a combination of crystal lattice energies with values of other thermochemical characteristics obtained theoretically or taken from the literature. The role of water in the stabilization of the crystal lattice of the hydrates is also explained. The information gathered has given an insight into the features and behaviour of compounds which can be regarded as models of a large group of aromatic quaternary nitrogen salts.

Steric Effects in the Electronic Spectra of the 3,5-Diarylaminobenzene Derivatives

1986 ◽  
Vol 41 (11) ◽  
pp. 1311-1314 ◽  
Author(s):  
A. Balter ◽  
W. Nowak ◽  
P. Milart ◽  
J. Sepioł
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Fluorescence Properties ◽  
Steric Effects ◽  
Quantum Yields ◽  
Spectroscopic Behaviour ◽  
Fluorescence Quantum Yields ◽  
Excited State Lifetimes ◽  
Methyl Phenyl

Absorption and fluorescence properties, excited state lifetimes and fluorescence quantum yields were determined for a series of 3,5-diarylaminobenzene derivatives in solvents of different polarities. The role of the nitrile, methyl, phenyl and naphthyl substituents is discussed. Especially the steric effects on the spectroscopic behaviour of the investigated molecules are studied.

The role of mineral nanoparticles at a fluid-magnetite interface: Implications for trace-element uptake in hydrothermal systems

2019 ◽  
Vol 104 (8) ◽  
pp. 1180-1188 ◽  
Author(s):  
Shuo Yin ◽  
Richard Wirth ◽  
Changqian Ma ◽  
Jiannan Xu
Keyword(s):  
Solid Solution ◽  
Crystal Lattice ◽  
Trace Element ◽  
Hydrothermal Systems ◽  
Oscillatory Zoning ◽  
Bulk Fluid ◽  
Continuous Increase ◽  
Interfacial Fluid ◽  
Spinel Nanoparticles

Abstract The migrating fluid-mineral interface provides an opportunity for the uptake of trace elements as solid solutions in the newly formed crystal lattice during the non-equilibrium growth of the crystal. However, mineral nanoparticles could precipitate directly from the interfacial fluid when it evolves to a supersaturated situation. To better understand the role of mineral nanoparticles in this scenario, this study focuses on a well-documented magnetite with oscillatory zoning from a skarn deposit by using high-resolution transmission electron microscopy (TEM). Our results show that the Al concentration in magnetite measured on a micrometer-scale is caused by three different effects: Al solid solution, Al-rich nanometer-sized lamellae, and zinc spinel nanoparticles in the host magnetite. Here, we propose a genetic relationship among the three different phases mentioned above. At first, a continuous increase of the Al concentration in the interfacial fluid can be incorporated into the crystal lattice of magnetite forming a solid solution. During cooling in a later stage, aluminum in magnetite is oversaturated and exsolution of hercynite (Al-rich lamellae) occurs from the host magnetite. If the Al concentration at the fluid-magnetite interface still increases during further growth of magnetite, the substitution of Fe by Al has gradually reached saturation so that aluminum cannot be incorporated in the magnetite crystal structure any longer. Using the magnetite lattice as a template, nucleation of abundant zinc spinel nanoparticles occurs. This will, in turn, lead to a gradual depletion of Al concentration in the interfacial fluid until the available ions for zinc spinel nucleation and growth have been used up. As a result, the migrating fluid-magnetite interface will enrich the Al concentration in the interfacial fluid until the available ion concentration is sufficient for nucleation of zinc spinel phase again. The fluid-mineral interface in this mechanism has been repeatedly utilized during crystal growth, providing an efficient way for the uptake of trace element from a related undersaturated bulk fluid.

scholarly journals Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum

2020 ◽  
Vol 22 (41) ◽  
pp. 23502-23521
Author(s):  
Jon Austad ◽  
Alex Borgoo ◽  
Erik I. Tellgren ◽  
Trygve Helgaker
Keyword(s):  
Angular Momentum ◽  
Magnetic Fields ◽  
Electronic Spectra ◽  
Strong Magnetic Fields ◽  
Bonding Mechanisms

Investigation of the electronic spectra and novel bonding mechanisms in helium dimers in strong magnetic fields.

Role of the Crystal Lattice Constants and Band Structures in the Optoelectronic Spectra of CdGa2S4by DFT Approaches

2017 ◽  
Vol 643 (13) ◽  
pp. 839-849 ◽  
Author(s):  
H. A. Rahnamaye Aliabad ◽  
Hamide Vaezi ◽  
Shiva Basirat ◽  
Iftikhar Ahmad
Keyword(s):  
Crystal Lattice ◽  
Band Structures ◽  
Lattice Constants

Transfer of solvated electrons to some aliphatic halides in ethanol at 77 K. The role of Franck-Condon factors

1978 ◽  
Vol 82 (17) ◽  
pp. 1901-1907 ◽  
Author(s):  
Akira Namiki ◽  
Nobuaki Nakashima ◽  
Keitaro Yoshihara ◽  
Yoshiro Ito ◽  
Takenobu Higashimura
Keyword(s):  
Solvated Electrons ◽  
Condon Factors ◽  
Franck Condon

Role of Kinetic Energy in the Franck–Condon Principle

1971 ◽  
Vol 55 (1) ◽  
pp. 309-314 ◽  
Author(s):  
Robert S. Mulliken
Keyword(s):  
Kinetic Energy ◽  
Franck Condon

Role of the orbital splitting in electronic spectra of pseudotetrahedral CoII complexes

1971 ◽  
Vol 5 ◽  
pp. 241-246 ◽  
Author(s):  
A. Flamini ◽  
L. Sestili ◽  
C. Furlani
Keyword(s):  
Electronic Spectra
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