Li 4 EPc : A metallo‐organic electride comprising metal‐nitrogen bonds

2021 ◽  
Author(s):  
Arpita Poddar ◽  
Pratim Kumar Chattaraj
Keyword(s):  
Nitrogen Bonds

The Nature of S-N Bonding in Sulfonamides and Related Compounds: Insights into π-Bonding Contributions from Sulfur K-Edge XAS

2020 ◽  
Author(s):  
Tulin Okbinoglu ◽  
Pierre Kennepohl
Keyword(s):  
Density Functional ◽  
Chemical Properties ◽  
Functional Theory ◽  
Rotational Barriers ◽  
Td Dft ◽  
Nitrogen Bonds ◽  
X Ray Absorption ◽  
Related Compounds ◽  
And Chemical Properties

Molecules containing sulfur-nitrogen bonds, like sulfonamides, have long been of interest due to their many uses and chemical properties. Understanding the factors that cause sulfonamide reactivity is important, yet their continues to be controversy regarding the relevance of S-N π bonding in describing these species. In this paper, we use sulfur K-edge x-ray absorption spectroscopy (XAS) in conjunction with density functional theory (DFT) to explore the role of S<sub>3p</sub> contributions to π-bonding in sulfonamides, sulfinamides and sulfenamides. We explore the nature of electron distribution of the sulfur atom and its nearest neighbors and extend the scope to explore the effects on rotational barriers along the sulfur-nitrogen axis. The experimental XAS data together with TD-DFT calculations confirm that sulfonamides, and the other sulfinated amides in this series, have essentially no S-N π bonding involving S<sub>3p</sub> contributions and that electron repulsion and is the dominant force that affect rotational barriers.

scholarly journals Synthesis and Characterization of the Germathioacid Chloride Coordinated by an N-Heterocyclic Carbene §

Inorganics ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 76 ◽  
Author(s):  
Yasunobu Egawa ◽  
Chihiro Fukumoto ◽  
Koichiro Mikami ◽  
Nobuhiro Takeda ◽  
Masafumi Unno
Keyword(s):  
Carboxylic Acid ◽  
Density Functional ◽  
Dft Calculation ◽  
Acid Chlorides ◽  
Carboxylic Acid Chloride ◽  
Functional Theory ◽  
Nitrogen Ligands ◽  
Bond Property ◽  
Nitrogen Bonds

Carboxylic acid chlorides are useful substrates in organic chemistry. Many germanium analogues of carboxylic acid chloride have been synthesized so far. Nevertheless, all of the reported germathioacid chlorides use bidentate nitrogen ligands and contain germanium-nitrogen bonds. Our group synthesized germathioacid chloride, Ge(S)Cl{C6H3-2,6-Tip2}(Im-i-Pr2Me2), using N-heterocyclic carbene (Im-i-Pr2Me2). As a result of density functional theory (DFT) calculation, it was found that electrons are localized on sulfur, and the germanium-sulfur bond is a single bond with a slight double bond property.

Analysis of Forest Foliage Spectra Using a Multivariate Mixture Model

1997 ◽  
Vol 5 (3) ◽  
pp. 167-173 ◽  
Author(s):  
Christine A. Hlavka ◽  
David L. Peterson ◽  
Lee F. Johnson ◽  
Barry Ganapol
Keyword(s):  
Mixture Model ◽  
Near Infrared ◽  
Photon Absorption ◽  
Chemical Measurements ◽  
Near Infrared Spectra ◽  
Photon Absorption And Scattering ◽  
Linear Mixture Model ◽  
Wet Chemical ◽  
Nitrogen Bonds ◽  
Reflectance Measurements

Wet chemical measurements and near infrared spectra of dry ground leaf samples were analysed to test a multivariate regression technique for estimating component spectra. The technique is based on a linear mixture model for log(1/ R) pseudoabsorbance derived from diffuse reflectance measurements. The resulting unmixed spectra for carbohydrates, lignin and protein resemble the spectra of extracted plant carbohydrates, lignin and protein. The unmixed protein spectrum has prominent absorption peaks at wavelengths that have been associated with nitrogen bonds. It therefore appears feasible to incorporate the linear mixture model in whole leaf models of photon absorption and scattering so that effects of varying nitrogen and carbon concentration on leaf reflectance may be simulated.

Formation of arylnitrogen bonds using a soluble copper(I) catalyst

2001 ◽  
Vol 42 (29) ◽  
pp. 4791-4793 ◽  
Author(s):  
Rattan Gujadhur ◽  
D Venkataraman ◽  
Jeremy T Kintigh
Keyword(s):  
Nitrogen Bonds

scholarly journals A combined experimental and theoretical study on the reactivity of nitrenes and nitrene radical anions

2022 ◽  
Vol 13 (1) ◽  
Author(s):  
Yujing Guo ◽  
Chao Pei ◽  
Rene M. Koenigs
Keyword(s):  
Radical Anion ◽  
Room Temperature ◽  
Theoretical Study ◽  
Transition Metal Catalysts ◽  
Transfer Reactions ◽  
Mechanistic Studies ◽  
Reaction Conditions ◽  
Nitrene Transfer ◽  
Triplet Nitrene ◽  
Nitrogen Bonds

AbstractNitrene transfer reactions represent one of the key reactions to rapidly construct new carbon-nitrogen bonds and typically require transition metal catalysts to control the reactivity of the pivotal nitrene intermediate. Herein, we report on the application of iminoiodinanes in amination reactions under visible light photochemical conditions. While a triplet nitrene can be accessed under catalyst-free conditions, the use of a suitable photosensitizer allows the access of a nitrene radical anion. Computational and mechanistic studies rationalize the access and reactivity of triplet nitrene and nitrene radical anion and allow the direct comparison of both amination reagents. We conclude with applications of both reagents in organic synthesis and showcase their reactivity in the reaction with olefins, which underline their markedly distinct reactivity. Both reagents can be accessed under mild reaction conditions at room temperature without the necessity to exclude moisture or air, which renders these metal-free, photochemical amination reactions highly practical.

ChemInform Abstract: STRUCTURAL AND NUCLEAR MAGNETIC RESONANCE STUDIES OF SHORT SELENIUM-NITROGEN BONDS

1985 ◽  
Vol 16 (26) ◽  
Author(s):  
H. W. ROESKY ◽  
K.-L. WEBER ◽  
U. SESEKE ◽  
W. PINKERT ◽  
M. NOLTEMEYER ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Magnetic Resonance Studies ◽  
Nitrogen Bonds ◽  
Nuclear Magnetic
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