Characterization of Local Aromaticity in Polycyclic Conjugated Hydrocarbons Based on Anisotropy of π-Electron Density

2017 ◽  
Vol 2 (35) ◽  
pp. 11526-11536 ◽  
Author(s):  
Rohoullah Firouzi ◽  
Hoda Shafie ◽  
Hassan Tohidnia
Keyword(s):  
Electron Density ◽  
Conjugated Hydrocarbons ◽  
Polycyclic Conjugated Hydrocarbons ◽  
Local Aromaticity

scholarly journals Complete Characterization of Resistance Distance for Linear Octagonal Networks

Complexity ◽  
2020 ◽  
Vol 2020 ◽  
pp. 1-13
Author(s):  
Jing Zhao ◽  
Jia-Bao Liu ◽  
Ali Zafari
Keyword(s):  
Complete Characterization ◽  
Complex Structures ◽  
Complicated Structure ◽  
Resistance Distance ◽  
Conjugated Hydrocarbons ◽  
Polycyclic Conjugated Hydrocarbons ◽  
Condensed Systems

Computing the resistance distance of a network is a fundamental and classical topic. In the aspects of considering the resistances between any two points of the lattice networks, there are many studies associated with the ladder networks and ladderlike networks. But the resistances between any two points for more complex structures than ladder networks or ladderlike networks are still unknown. In this paper, a rather complicated structure which is named linear octagonal network is considered. Treelike octagonal systems are cata-condensed systems of octagons, which represent a class of polycyclic conjugated hydrocarbons. A linear octagonal network is a cata-condensed octagonal system with no branchings. Moreover, the resistances between any two points of a linear octagonal network are first determined. One finds that the effective resistances between new inserted points and others points of a linear octagonal network can be given by the effective resistances between two initial points which are inherited from the linear polyomino network.

Measurement of Dysprosium Stark Width and the Electron Impact Width Parameter

2018 ◽  
Vol 73 (2) ◽  
pp. 203-213 ◽  
Author(s):  
Jhonatha R. dos Santos ◽  
Jonas Jakutis Neto ◽  
N. Rodrigues ◽  
M.G. Destro ◽  
José W. Neri ◽  
...  
Keyword(s):  
Electron Density ◽  
Impact Parameter ◽  
Plasma Temperature ◽  
Spectral Lines ◽  
Emission Lines ◽  
Spectroscopic Methods ◽  
Species Concentration ◽  
The Impact ◽  
Stark Width

In this work, we suggest a methodology to determine the impact parameter for neutral dysprosium emission lines from the characterization of the plasma generated by laser ablation in a sealed chamber filled with argon. The procedure is a combination of known consistent spectroscopic methods for plasma temperature determination, electron density, and species concentration. With an electron density of 3.1 × 1018 cm–3 and temperature close to 104 K, we estimated the impact electron parameter for nine spectral lines of the neutral dysprosium atom. The gaps in the impact parameter data in the literature, mainly for heavy elements, stress the importance of the proposed method.

scholarly journals Verifying the PCP-rule by five-center bond indices

2009 ◽  
Vol 74 (5) ◽  
pp. 549-554 ◽  
Author(s):  
Jelena Djurdjevic ◽  
Ivan Gutman ◽  
Robert Ponec
Keyword(s):  
Membered Ring ◽  
Energy Effect ◽  
Conjugated Hydrocarbons ◽  
Cyclic Conjugation ◽  
Bond Indices ◽  
Polycyclic Conjugated Hydrocarbons

According to the recently discovered PCP-rule, the (stabilizing) energy- effect of the cyclic conjugation in the 5-membered ring of acenaphthyleneand fluoranthene-type polycyclic conjugated hydrocarbons increases with the number of phenyl-cyclopentadienyl (PCP) fragments present in the molecule. It is now shown that the validity of the PCP-rule is also supported by the 5-center bond indices, an independent quantitative theoretical measure of cyclic conjugation in 5-membered rings.

Correlations between Local Aromaticity Indices of Bipartite Conjugated Hydrocarbons

2010 ◽  
Vol 114 (18) ◽  
pp. 5870-5877 ◽  
Author(s):  
Alexandru T. Balaban ◽  
Jelena Đurđević ◽  
Ivan Gutman ◽  
Svetlana Jeremić ◽  
Slavko Radenković
Keyword(s):  
Conjugated Hydrocarbons ◽  
Local Aromaticity

A theoretical study on a series of polycyclic conjugated hydrocarbons—dinaphthobenzo[1,2:4,5]dicyclobutadienes with tunable charge transport properties by controlling [N]phenylenes and (anti)aromaticity

2019 ◽  
Vol 7 (22) ◽  
pp. 6721-6727
Author(s):  
Hang Yin ◽  
Daoyuan Zheng ◽  
Yan Qiao ◽  
Xiaofang Chen
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study ◽  
Energy Gap ◽  
Conjugated Hydrocarbons ◽  
Polycyclic Conjugated Hydrocarbons

A multi-dimensional relationship founded on the targeted [N] number, the energy gap (Eg) and the aromatic degree was constructed for predicting cyclobutadienoid-containing dinaphthobenzo[1,2:4,5]dicyclobutadienes (DNBDCs) with better charge transport properties.

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