Physical Understanding through Variational Reasoning: Electron Sharing and Covalent Bonding†

2009 ◽  
Vol 113 (10) ◽  
pp. 1954-1968 ◽  
Author(s):  
Klaus Ruedenberg ◽  
Michael W. Schmidt
Keyword(s):  
Covalent Bonding ◽  
Physical Understanding

Non-Covalent Bonding Interaction between Primaquine as Guest and 2-(Hydroxypropyl)-β-Cyclodextrin as Host

2020 ◽  
pp. 1-18
Author(s):  
Moorthiraman Murugan ◽  
Rajaram Rajamohan ◽  
Arumugam Anitha ◽  
Madi Fatiha
Keyword(s):  
Covalent Bonding ◽  
Bonding Interaction

scholarly journals Erratum: Competition between Covalent Bonding and Charge Transfer at Complex-Oxide Interfaces [Phys. Rev. Lett.112, 196802 (2014)]

2014 ◽  
Vol 113 (18) ◽  
Author(s):  
Juan Salafranca ◽  
Julián Rincón ◽  
Javier Tornos ◽  
Carlos León ◽  
Jacobo Santamaria ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Complex Oxide ◽  
Covalent Bonding ◽  
Oxide Interfaces

scholarly journals Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering

2012 ◽  
Vol 108 (6) ◽  
Author(s):  
J. T. Okada ◽  
P. H.-L. Sit ◽  
Y. Watanabe ◽  
Y. J. Wang ◽  
B. Barbiellini ◽  
...  
Keyword(s):  
Covalent Bonding ◽  
Liquid Silicon ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

A Genetically Encoded Fluorosulfonyloxybenzoyl-l-lysine for Expansive Covalent Bonding of Proteins via SuFEx Chemistry

2021 ◽  
Author(s):  
Jun Liu ◽  
Li Cao ◽  
Paul C. Klauser ◽  
Rujin Cheng ◽  
Viktoriya Y. Berdan ◽  
...  
Keyword(s):  
Covalent Bonding

scholarly journals Electrochemical and Spectroelectrochemical Studies on the Reactivity of Perimidine–Carbazole–Thiophene Monomers towards the Formation of Multidimensional Macromolecules versus Stable π-Dimeric States

Materials ◽  
2021 ◽  
Vol 14 (9) ◽  
pp. 2167
Author(s):  
Malgorzata Czichy ◽  
Patryk Janasik ◽  
Pawel Wagner ◽  
David L. Officer ◽  
Mieczyslaw Lapkowski
Keyword(s):  
Conjugated Polymer ◽  
Density Functional ◽  
Radical Cations ◽  
Covalent Bonding ◽  
Oxidation States ◽  
Solid Product ◽  
Functional Theory ◽  
Subsequent Oxidation ◽  
Molecular Ordering ◽  
Significant Difference

During research on cross-linked conducting polymers, double-functionalized monomers were synthesized. Two subunits potentially able to undergo oxidative coupling were used—perimidine and, respectively, carbazole, 3,6-di(hexylthiophene)carbazole or 3,6-di(decyloxythiophene)carbazole; alkyl and alkoxy chains as groups supporting molecular ordering and 14H-benzo[4,5]isoquinone[2,1-a]perimidin-14-one segment promoting CH⋯O interactions and π–π stacking. Electrochemical, spectroelectrochemical, and density functional theory (DFT) studies have shown that potential-controlled oxidation enables polarization of a specific monomer subunit, thus allowing for simultaneous coupling via perimidine and/or carbazole, but mainly leading to dimer formation. The reason for this was the considerable stability of the dicationic and tetracationic π-dimers over covalent bonding. In the case of perimidine-3,6-di(hexylthiophene)carbazole, the polymer was not obtained due to the steric hindrance of the alkyl substituents preventing the coupling of the monomer radical cations. The only linear π-conjugated polymer was obtained through di(decyloxythiophene)carbazole segment from perimidine-di(decyloxythiophene)-carbazole precursor. Due to the significant difference in potentials between subsequent oxidation states of monomer, it was impossible to polarize the entire molecule, so that both directions of coupling could be equally favored. Subsequent oxidation of this polymer to polarize the side perimidine groups did not allow further crosslinking, because rather the π–π interactions between these perimidine segments dominate in the solid product.

Structure and hydrogen bonding inCaSiD1+x: Issues about covalent bonding

2006 ◽  
Vol 74 (22) ◽  
Author(s):  
H. Wu ◽  
W. Zhou ◽  
T. J. Udovic ◽  
J. J. Rush ◽  
T. Yildirim
Keyword(s):  
Hydrogen Bonding ◽  
Covalent Bonding

Chlorine nuclear quadrupole resonance in some chloro complexes of divalent copper

1971 ◽  
Vol 24 (10) ◽  
pp. 1993 ◽  
Author(s):  
DE Scaife
Keyword(s):  
Nuclear Quadrupole Resonance ◽  
Covalent Bonding ◽  
Divalent Copper ◽  
Chloro Complexes ◽  
35Cl Nucleus ◽  
Square Planar ◽  
Bonding Interaction ◽  
Quadrupole Resonance ◽  
Square Planar Complexes ◽  
Nuclear Quadrupole

Nuclear quadrupole resonance for the 35Cl nucleus has been observed in some chloro complexes of divalent copper. Square-planar complexes each show two resonance lines, with the following frequencies (at 77�K): (CH3NH3)2CuCl4, 10.780, 12.157 MHz; (C2H5NH3)2CuCl4, 10.817, 12.074 MHz; (enH2)CuCl4, 10.271, 11.901 MHz; and (C3H7NH3)2CuCl4 at 223�K, 11.290 and 11.781 MHz. NH4CuCl3, containing dimeric Cu2Cl62- units, has resonances, at 77�K, at 11.907, 11.993, and 12.448 MHz. The trigonal pyramidal anion in Co(NH3)6CuCl5 has two resonances at 9.642 and 10.352 MHz at 77�K. ��� These results are compared with previous results for copper chloro complexes, and the implications of covalent bonding are discussed. In particular, it is suggested that the long-bond interaction between units in square-planar complexes amounts to 7-16% of the bonding interaction within the units.

Functionalized diamond nanothreads from benzene derivatives

2017 ◽  
Vol 19 (10) ◽  
pp. 7132-7137 ◽  
Author(s):  
J. F. R. V. Silveira ◽  
A. R. Muniz
Keyword(s):  
Covalent Bonding ◽  
Benzene Derivative ◽  
Benzene Derivatives

The feasibility of functionalized diamond nanothreads generated upon stacking and covalent bonding of benzene derivative molecules is demonstrated by DFT.

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