Results 51 to 60 of about 2,231 (184)

Inter-cluster reactivity of Metallo-aromatic and anti-aromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation

, 2005
Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li- and Al4Na-) and anti-aromatic (Al4Li4 and Al4Na4) compounds.
Aromaticity, Chako S., Chandra A. K., Chen Z., Curioni A., Curioni A., Datta A., De Proft F., De Proft F., For, Fowler P. W., Fowler P. W., Geerlings P., Haskal E. I., Havenith R. W. A., Hohenberg K., Kido J., Krishnamurty S., Kumar V., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Li X., Li X., Lowdin P. O., Lowdin P. O., Mendez F., Nembach E., Nguyen L. T., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Pearson R. G., Pearson R. G., Pearson R. G., Perdew J. P., Ritter S. K., Roy R. K., Schmidt M. W., Shetty S., Shetty S., Tang J. X., Yang W., Yang W., Zhai H. J., Zhai H. J., Zhang Y.   +52 more
core   +1 more source

Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ← N Coordination-Promoted Delocalization and Hyperconjugation. [PDF]

, 2018
The introduction of B ← N coordinate bond-isoelectronic to C-C single bond-into π-systems represents a promising strategy to impart exotic redox and electrochromic properties into conjugated organic molecules and macromolecules. To achieve both reductive
Barker, Kayla P, Chen, Teresa L, Fang, Lei, Ji, Xiaozhou, Klivansky, Liana M, Liu, Yi, Mu, Anthony U, You, Di, Zhu, Congzhi   +8 more
core   +7 more sources

Aromaticity and Antiaromaticity: How to Define Them

Chemistry
Aromaticity and antiaromaticity are concepts that are often used to explain and predict the physical and chemical properties of cyclic conjugated compounds.
Marija Baranac-Stojanović
doaj   +1 more source

Evaluation of the aromatic character of some bowl shape polycyclic carbon nanostructures [PDF]

شیمی کاربردی روز, 2017
In two recent decades, nucleus independent chemical shift (NICS) criterion was used to gauge the amount of aromaticity of organic and inorganic compounds in a lot of publications.
Adel Reisi-Vanani, fatemeh hajizadeh
doaj   +1 more source

Substrate‐Selective Temperature‐Controlled Synthesis of Thiophene Derivatives at Interfaces

Angewandte Chemie, Volume 138, Issue 6, 2 February 2026.
The deposition of a dithiophene derivative on Ag(111) at room temperature followed by annealing gives rise to molecular wires, whereas the adsorption of the same precursor on a hot substrate affords the formation of benzotrithiophene species. Abstract The temperature‐controlled transformation of organic molecules at interfaces is an incipient yet ...
Elena Pérez‐Elvira, Ana Barragán, Diego J. Vicent, Óscar Jóver, Aurelio Gallardo, Alba García‐Frutos, Lenka Černa, Koen Lauwaet, José Santos, Josefina Perles, José M. Gallego, Rodolfo Miranda, José I. Urgel, Jonas Björk, Marco Di Giovannantonio, Nazario Martín, David Écija   +16 more
wiley   +2 more sources

Twist and Shine: The Impact of Halogen Substitution on Thiele Hydrocarbon's Optical Properties

Angewandte Chemie, Volume 138, Issue 6, 2 February 2026.
Halogenation in Thiele hydrocarbons strongly influences structure and excited‐state dynamics. Depending on substitution, “boat” folded forms show large Stokes shifts and strong solvatochromism, while planar “butterfly” derivatives exhibit near‐unity photoluminescence yields.
Angela Punzi, Tobias Ullrich, Michele Orza, Davide Mesto, Anna Moliterni, Vincent Olieric, Sylvain Engilberge, Cinzia Giannini, Fabrizia Negri, Dirk M. Guldi, Davide Blasi, Gianluca M. Farinola   +11 more
wiley   +2 more sources

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

Molecules, 2022
The somewhat elusive concept of aromaticity plays an undeniable role in the chemical narrative, often being considered the principal cause of the unusual properties and stability exhibited by certain π skeletons. More recently, the concept of aromaticity
Miguel Gallegos, Daniel Barrena-Espés, José Manuel Guevara-Vela, Tomás Rocha-Rinza, Ángel Martín Pendás   +4 more
doaj   +1 more source

Synthesis of 3,4-Bis(benzylidene)cyclobutenes [PDF]

, 2011
The syntheses of several derivatives of 3,4-bis(benzylidene)cyclobutene are reported. Previously unknown 1,2-dibromo-3,4-bis(benzylidene)cyclobutene was obtained through in situ generation of 1,6-diphenyl-3,4-dibromo-1,2,4,5-tetraene followed by ...
Parkhurst, Rebecca Rosenberg, Swager, Timothy Manning   +1 more
core   +1 more source

Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation

, 2003
We propose a theoretical investigation in this paper to understand the bonding and structural properties of neutral Al4Na4 and anion Al4Na3- clusters.
Kanhere, Dilip. G., Pal, Sourav, Shetty, Sharan   +2 more
core   +1 more source

Synthesis of a π‐Extended Phenazine Diimide Derivative and Characterization of Its Closed‐Shell Reduced States

Chemistry – A European Journal, EarlyView.
In this work, the synthesis and characterization of novel π‐extended phenazine diimides is reported. The derivatives undergo differential reduction to a dihydrophenazine or Meisenheimer form depending on the reaction conditions employed. The outcome of this work highlights the paramount importance of structural design in determining the nature of the ...
Francesco Rigodanza, Beatrice Bartolomei, Ilaria Crea, Paolo Costa, Nicola Demitri, Marcella Bonchio, Maurizio Prato, Jacopo Dosso   +7 more
wiley   +1 more source