Gas phase and bulk photoemission spectra of highest occupied molecular orbitals of pi-conjugated organic molecules

2007 ◽  
Vol 4 (6) ◽  
pp. 1844-1851 ◽  
Author(s):  
J. Sauther ◽  
J. Wüsten ◽  
S. Lach ◽  
Ch. Ziegler
Keyword(s):  
Gas Phase ◽  
Organic Molecules ◽  
Molecular Orbitals ◽  
Conjugated Organic Molecules ◽  
Pi Conjugated ◽  
Highest Occupied Molecular Orbitals

Primary photoprocesses of chlorophyll and related molecule

1963 ◽  
Vol 157 (968) ◽  
pp. 293-300 ◽  
Keyword(s):  
Small Molecules ◽  
Gas Phase ◽  
Organic Molecules ◽  
Vibrational Energy ◽  
Electronic States ◽  
Photochemical Reactions ◽  
Apparent Paradox ◽  
Related Molecule ◽  
Conjugated Organic Molecules ◽  
Photochemical Properties

Although the system in which photosynthesis occurs is exceedingly complex there is no reason to suppose that the primary processes involve any principles not already encountered in the photochemistry of other large organic molecules. It will therefore be useful to consider such processes with reference to chlorophyll as a particular case. In many ways the luminescent and photochemical properties of large conjugated organic molecules in the condensed phase are simpler than those of small molecules or molecules in the gas phase. This apparent paradox is a result of the rapid dissipation of excess vibrational energy and the rapid inter-conversion between electronic states which occurs in such systems. An additional simplification is introduced when only processes relevant to photosynthesis need to be considered since irreversible photochemical reactions are then unimportant. Most of the detailed information which is available refers to dilute solutions where the solute molecules are monomeric, though they may be complexed with the solvent, and it will be convenient to consider such systems first.

scholarly journals An investigation of the interrelationships between linear and nonlinear polarizabilities and bond-length alternation in conjugated organic molecules

1993 ◽  
Vol 90 (23) ◽  
pp. 11297-11301 ◽  
Author(s):  
C B Gorman ◽  
S R Marder
Keyword(s):  
Bond Length ◽  
Organic Molecules ◽  
Computational Method ◽  
Bond Length Alternation ◽  
Conjugated Molecules ◽  
Conjugated Organic Molecules ◽  
Alpha Beta ◽  
Relationship Of ◽  
The Relationship ◽  
Observable Parameter

A computational method was devised to explore the relationship of charge separation, geometry, molecular dipole moment (mu), polarizability (alpha), and hyperpolariz-abilities (beta, gamma) in conjugated organic molecules. We show that bond-length alternation (the average difference in length between single and double bonds in the molecule) is a key structurally observable parameter that can be correlated with hyperpolarizabilities and is thus relevant to the optimization of molecules and materials. By using this method, the relationship of bond-length alternation, mu, alpha, beta, and gamma for linear conjugated molecules is illustrated, and those molecules with maximized alpha, beta, and gamma are described.

Influence of conjugation length on ultrafast electronic tunneling in organic semiconductor thin films

2018 ◽  
Vol 20 (38) ◽  
pp. 25085-25095 ◽  
Author(s):  
Vincent V. Duong ◽  
Alexander L. Ayzner
Keyword(s):  
Molecular Electronics ◽  
Organic Molecules ◽  
Electron Delocalization ◽  
Conjugation Length ◽  
Conjugated Organic Molecules ◽  
Rate Limiting Step ◽  
Limiting Step ◽  
Semiconductor Thin Films ◽  
Electronic Tunneling ◽  
Rate Limiting

Electron delocalization in conjugated organic molecules is a rate-limiting step in maximizing the photo conversion efficiency of next generation photovoltaics and molecular electronics.

Chemical sensors based on π-conjugated organic molecules and gold nanoparticles

2009 ◽  
Vol 52 (6) ◽  
pp. 715-730 ◽  
Author(s):  
MingJian Yuan ◽  
YongJun Li ◽  
HuiBiao Liu ◽  
YuLiang Li
Keyword(s):  
Gold Nanoparticles ◽  
Chemical Sensors ◽  
Organic Molecules ◽  
Conjugated Organic Molecules

Calixarene receptors of environmentally hazardous and biorelevant molecules and ions

2008 ◽  
Vol 80 (7) ◽  
pp. 1449-1458 ◽  
Author(s):  
Vitaly I. Kalchenko
Keyword(s):  
Drug Design ◽  
Gas Phase ◽  
Crystalline State ◽  
Rational Design ◽  
Organic Molecules ◽  
Supramolecular Complexes

In the paper, a report on the rational design of the calixarene receptors bearing ligating, H-donor, H-acceptor fragments at the wide and/or narrow rim of the macrocycle is presented. The calixarenes form supramolecular complexes with various cations, anions, organic molecules, and biomolecules in solution, in the crystalline state and even in the gas phase. The calixarenes or their complexes can be used as materials for radionuclide extraction, construction of chemosensors, and drug design.

Characterization of step-edge barrier crossing of para-sexiphenyl on the ZnO (101̄0) surface

2016 ◽  
Vol 18 (36) ◽  
pp. 25329-25341 ◽  
Author(s):  
Karol Palczynski ◽  
Philipp Herrmann ◽  
Georg Heimel ◽  
Joachim Dzubiella
Keyword(s):  
Thin Film ◽  
Mass Transport ◽  
Organic Molecules ◽  
Optoelectronic Devices ◽  
Thin Film Deposition ◽  
Essential Elements ◽  
Transport Processes ◽  
Film Deposition ◽  
Conjugated Organic Molecules

Mass transport processes of conjugated organic molecules (COMs) on inorganic surfaces are essential elements in thin film deposition for hybrid optoelectronic devices.

scholarly journals Molecules in nearby and primordial supernovae

2008 ◽  
Vol 4 (S251) ◽  
pp. 221-226
Author(s):  
Isabelle Cherchneff ◽  
Simon Lilly
Keyword(s):  
Gas Phase ◽  
Early Universe ◽  
Organic Molecules ◽  
Molecular Form ◽  
Chemical Kinetic ◽  
Kinetic Approach ◽  
Dust Formation ◽  
Core Collapse ◽  
Chemical Models ◽  
Upper Limits

AbstractWe present new chemical models of supernova (SN) ejecta based on a chemical kinetic approach. We focus on the formation of inorganic and organic molecules including gas phase dust precursors, and consider zero-metallicity progenitor, massive supernovae and nearby core-collapse supernovae such as SN1987A. We find that both types are forming large amounts of molecules in their ejecta at times as early as 200 days after explosion. Upper limits on the dust formation budget are derived. Our results on dust precursors do not agree with existing studies on dust condensation in SN ejecta. We conclude that PMSNe could be the first non-primodial molecule providers in the early universe, ejecting up to 34% of their progenitor mass under molecular form to the pristine, local gas.

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