Výsledky vyhledávání - "Nitrosomethane"

EXPLORING THE POTENTIAL ENERGY SURFACE OF THE CATALYZED ISOMERIZATION OF NITROSOMETHANE TO FORMALDOXIME

Autor: San-Yan Chu, Ning-Bew Wong, Guo-Ming Liang, Yi Ren

Publikováno v: Journal of Theoretical and Computational Chemistry. :187-195

The mechanism of the isomerization of nitrosomethane to formaldoxime catalyzed by neutral molecule ( H 2 O and HCOOH ) has been investigated at the level of B3LYP/6-311+G**. Calculated results indicate that the rearrangement from nitrosomethane to mo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::62473793e10b5089e9988233f4e60c3b
https://doi.org/10.1142/s021963360700285x

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A quantum-chemical study of the thermodynamic properties of the CNOH3 isomers

Autor: Yu. D. Orlov, A. N. Kizin, I. V. Stepnikov, Vladimir V. Turovtsev

Publikováno v: Russian Journal of Physical Chemistry A. 81:317-319

The B3LYP/6-311++G(3df,3pd) DFT method was used to determine the geometry and vibrational frequencies for the formamide, formaldoxime, nitrosomethane, oxaziridine, and formimide. The potential energy functions of the hindered internal rotations were

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c95c4d7d2a07b9d588918607b6c3b446
https://doi.org/10.1134/s0036024407020318

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An ab initio and density functional study of nitrosomethane and its rearrangement products formaldonitrone and formaldoxime

Autor: T. Vladimiroff

Publikováno v: Journal of Molecular Structure: THEOCHEM. 401:141-150

Nitrosomethane is difficult to study experimentally, because it has a tendency to dimerize and rearrange to formaldoxime. However, theoretical methods, which are not bothered by these problem have not been extensively applied to these molecules. In t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8dd9e2a8dcb433d24035ec1e43919426
https://doi.org/10.1016/s0166-1280(96)04876-2

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Can the Nitroso Ene Reaction Proceed Concertedly?

Autor: Xin Lu

Publikováno v: Organic Letters. 6:2813-2815

All nitroso ene reactions so far reported follow exclusively stepwise reaction paths. Herein, we report the first concerted nitroso ene reaction that occurs between o-isotoluene (or its naphthalenic analogues) and nitroso compounds (e.g., nitrosometh

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea2ed2969ed2618971e8b7414893d991
https://doi.org/10.1021/ol048912j

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ChemInform Abstract: A Torquoselective Extrusion of Isoxazoline N-Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization

Autor: Joann M. Um, Alison J. Frontier, Ildiko R. Herrick, Kendall N. Houk, Daniel P. Canterbury

Publikováno v: ChemInform. 40

A mild, convenient reaction sequence for the synthesis of Nazarov cyclization substrates is described. The [3+2] dipolar cycloaddition of a nitrone and an electron-deficient alkyne gives an isolable isoxazoline intermediate, which upon oxidation unde

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1eee10df490bf0d936fc9be56cadf58a
https://doi.org/10.1002/chin.200933137

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ChemInform Abstract: Origins of Stereoselectivity in the Oxido-Alkylidenation of Alkynes

Autor: Alison J. Frontier, Dahlia A. Goldfeld, Paul Ha-Yeon Cheong, Daniel P. Canterbury, Kendall N. Houk, Joann M. Um, Richard A. Huhn

Publikováno v: ChemInform. 40

A mild, convenient oxido-alkylidenation of alkynes is described. The three-step sequence involves the 1,3-dipolar cycloaddition of a nitrone and an alkynoate, oxidation of the resulting isoxazoline, and stereoselective extrusion of nitrosomethane. Qu

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https://doi.org/10.1002/chin.200910073

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Photoelectron Spectra of Amines, Nitroso and Nitro Compounds

Autor: Paul Rademacher

Publikováno v: Patai's Chemistry of Functional Groups

1 Introduction 2 Amines 3 Nitroso Compounds 4 Nitro Compounds 5 Acknowledgements Keywords: amines, nitroso and nitro compound photoelectron spectra; aliphatic amines; aminonaphthalenes; transannular interaction of amino groups with functional groups;

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https://doi.org/10.1002/047085720x.ch4

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Formaldehyde oxime - nitrosomethane tautomerism

Autor: Judy A. Long, Koop Lammertsma, Nathan J. Harris

Publikováno v: Journal of Organic Chemistry, 66, 6762-6767. American Chemical Society
Long, J A, Harris, N J & Lammertsma, K 2001, ' Formaldehyde oxime-nitrosomethane tautomerism ', Journal of Organic Chemistry, vol. 66, pp. 6762-6767 . https://doi.org/10.1021/jo010671v

Formaldehyde oxime ⇌ nitrosomethane tautomerism, isomeric nitrone, and their common cations and anions are studied with Gaussian-2 theory using MP2(full)/6-31G* geometries and with density functional theory using B3LYP/6-311+G**. Geometrical parame

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https://research.vu.nl/en/publications/5815200d-7eed-475e-9993-eab1b21e915f

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