Formation, Structural Characterization, and Calculated NMR Chemical Shifts of Selenium-Nitrogen Compounds from SeCl4 and ArNHLi (Ar = supermesityl, mesityl)
Maaninen, T., Tuononen, H., Kosunen, K., Oilunkaniemi, R., Hiitola, J., Laitinen, R., & Chivers, T. (2004). Formation, Structural Characterization, and Calculated NMR Chemical Shifts of Selenium-Nitrogen Compounds from SeCl4 and ArNHLi (Ar = supermesityl, mesityl). Zeitschrift für Anorganische und Allgemeine Chemie, 630(12), 1947-1954. https://doi.org/10.1002/zaac.200400286
Julkaistu sarjassa
Zeitschrift für Anorganische und Allgemeine ChemieTekijät
Päivämäärä
2004Tekijänoikeudet
© 2004 WILEY-VCH Verlag GmbH & Co. This is a final draft version of an article whose final and definitive form has been published by Wiley. Published in this repository with the kind permission of the publisher.
Supermesityl selenium diimide [Se{N(C6H2
tBu3-2,4,6)}2; Se{N(mes*)}2] can be prepared in
a good yield from the reaction of SeCl4 and (mes*)NHLi. The molecule adopts an
unprecedented anti,anti-conformation, as deduced by DFT calculations at PBEO/TZVP level
of theory and supported by 77Se NMR spectroscopy and a crystal structure determination. An
analogous reaction involving (C6H2Me3-2,4,6)NHLi [(mes)NHLi] unexpectedly lead to the
reduction of selenium and afforded the selenium diamide Se{NH(mes)}2 that was
characterized by X-ray crystallography and 77Se NMR spectroscopy. The Se-N bonds of
1.847(3) and 1.852(3) Å show normal single bond lengths. The <NSeN bond angle of
109.9(1) o also indicates a tetrahedral AX2E2 bonding arrangement around selenium. Two NH···N
hydrogen bonds link the Se{NH(mes)}2 molecule with two discrete (mes)NH2
molecules. In the solid state selenium diamide adopts the anti-conformation, while in solution
the presence of both syn- and anti-isomers could be observed. PBEO/TZVP calculations of
the shielding tensors of 28 different types of selenium-containing molecules, for which the
77Se chemical shifts are unambiguously known, were carried out to assist the spectral
assignment of Se{N(mes*)}2 and Se{NH(mes)}2.
...
Julkaisija
WileyISSN Hae Julkaisufoorumista
0044-2313Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/14737350
Metadata
Näytä kaikki kuvailutiedotKokoelmat
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
Quantum chemical calculations of structures, bonding, and spectroscopic properties of some sulfur and selenium iodine cations
Rautiainen, J. Mikko (2007)The characterization and understanding of electronic structures of sulfur and selenium iodine species have presented many difficulties, some of which have puzzled scientists for decades. The present thesis provides answers ... -
Complex formation of copper(II), nickel(II) and zinc(II) with ethyl phosphonohydroxamic acid : solution speciation, synthesis and structural characterization
Ostrowska, Malgorzata; Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta (Royal Society of Chemistry, 2019)The first example of a Cu(II) 12-MC-4 hydroxamic metallacrown containing an ethylphosphonate group as an additional donor function in the β-position with respect to the hydroxamic group is described. The solution equilibrium ... -
Structures and EPR spectra of binary sulfur−nitrogen radicals from DFT calculations
Boeré, René; Tuononen, Heikki; Chivers, Tristram; Roemmele, Tracey (Elsevier, 2007)he scattered electron paramagnetic resonance (EPR) spectroscopic data for binary sulfur–nitrogen (S,N) radicals have been compiled and critically assessed.Many of these are inorganic rings or cages.For each species, possible ... -
The reduction of selenium(IV) by boreal Pseudomonas sp. strain T5-6-I : Effects on selenium(IV) uptake in Brassica oleracea
Lusa, Merja; Help, Hanna; Honkanen, Ari-Pekka; Knuutinen, Jenna; Parkkonen, Joni; Kalasová, Dominika; Bomberg, Malin (Elsevier, 2019)Selenium (Se) is an essential micronutrient but toxic when taken in excessive amounts. Therefore, understanding the metabolic processes related to selenium uptake and bacteria-plant interactions coupled with selenium ... -
Identification and structural characterization of LytU, a unique peptidoglycan endopeptidase from the lysostaphin family
Raulinaitis, Vytas; Tossavainen, Helena; Aitio, Olli; Juuti, Jarmo T.; Hiramatsu, Keiichi; Kontinen, Vesa; Permi, Perttu (Nature Publishing Group, 2017)We introduce LytU, a short member of the lysostaphin family of zinc-dependent pentaglycine endopeptidases. It is a potential antimicrobial agent for S. aureus infections and its gene transcription is highly upregulated ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.