Abstract:
The Raman, IR and UV spectra of 1,3-di-tert-butylimidazol-2-ylidene (Bu<tNCH=CHNBut)CII and quantum chemistry calculations of its normal mode frequencies and eigenvectors and the NICS index are reported.
Document Type:
Article
Language: English
Citation:
L. A. Leites, G. I. Magdanurov, S. S. Bukalov, S. P. Nolan, N. M. Scott, R. West, “Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene”, Mendeleev Commun., 17:2 (2007), 92–94
Linking options:
https://www.mathnet.ru/eng/mendc3388
https://www.mathnet.ru/eng/mendc/v17/i2/p92
This publication is cited in the following 10 articles:
R. R. Aysin, S. S. Bukalov, L. A. Leites, A. V. Lalov, K. V. Tsys, A. V. Piskunov, “Aromaticity Suppression by Intermolecular Coordination. Optical Spectra and Electronic Structure of Heavy Carbene Analogues with an Amidophenolate Backbone”, Organometallics, 38:16 (2019), 3174
Rinat R. Aysin, Sergey S. Bukalov, Larissa A. Leites, Alexander V. Zabula, “Optical spectra, electronic structure and aromaticity of benzannulated N-heterocyclic carbene and its analogues of the type C6H4(NR)2E: (E = Si, Ge, Sn, Pb)”, Dalton Trans., 46:27 (2017), 8774
Hans‐Christian Schmitt, Marco Flock, Eileen Welz, Bernd Engels, Heidi Schneider, Udo Radius, Ingo Fischer, “Electronic Structure and Excited‐State Dynamics of an Arduengo‐Type Carbene and its Imidazolone Oxidation Product”, Chemistry A European J, 23:13 (2017), 3084
Larissa A. Leites, Sergey S. Bukalov, Rinat R. Aysin, Alexander V. Piskunov, Maxim G. Chegerev, Vladimir K. Cherkasov, Alexander V. Zabula, Robert West, “Aromaticity of an Unsaturated N-Heterocyclic Stannylene (HCRN)2SnII As Studied by Optical Spectra and Quantum Chemistry. Comparison in the Series (HCRN)2EII, E = C, Si, Ge, Sn (R = t-Bu or Dip)”, Organometallics, 34:11 (2015), 2278
Branka Kovač, Ivan Ljubić, Antti Kivimäki, Marcello Coreno, Igor Novak, “The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy”, Phys. Chem. Chem. Phys., 17:16 (2015), 10656
Resul Sevinçek, Hande Karab{\i}y{\i}k, Hasan Karab{\i}y{\i}k, “Changes in ligating abilities of the singlet and triplet states of normal, abnormal and remote N-heterocyclic carbenes depending on their aromaticities”, J Mol Model, 19:12 (2013), 5327
Sakunchai Khumsubdee, Yubo Fan, Kevin Burgess, “A Comparison between Oxazoline-imidazolinylidene, -imidazolylidine, -benzimidazolylidene Hydrogenation Catalysts”, J. Org. Chem., 78:19 (2013), 9969
Miriam Karni, Yitzhak Apeloig, “Conjugation, Resonance, and Stability in N-Heterocyclic Silylenes and in Phosphorus Ylide Substituted Silylenes”, Organometallics, 31:6 (2012), 2403
B. Pintér, T. Veszprémi, “Synthesizability of the Heavy Analogues of Disubstituted Cyclopropenylidene: A Theoretical Study”, Organometallics, 27:21 (2008), 5571
L. A. Leites, G. I. Magdanurov, S. S. Bukalov, R. West, “Intermolecular =C–H···:C hydrogen bond in a crystalline unsaturated Arduengo-type carbene”, Mendeleev Commun., 18:1 (2008), 14–15
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