Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene

Larissa A. Leites; Gaidar L. Magdanurov; Sergey S. Bukalov; Steven Patrick Nolan; Natalie M. Scott; Robert West

doi:10.1016/j.mencom.2007.03.013

Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene

Larissa A. Leites, Gaidar L. Magdanurov, Sergey S. Bukalov, Steven Patrick Nolan, Natalie M. Scott, Robert West

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

The Raman, IR and UV spectra of 1,3-di-tert-butylimidazol-2-ylidene ((BuNCH)-N-t=CHNBut)C-II and quantum chemistry calculations of its normal mode frequencies and eigenvectors and the NICS index are reported.

Original language	English
Pages (from-to)	92-94
Number of pages	3
Journal	Mendeleev Communications
Volume	17
Issue number	2
DOIs	https://doi.org/10.1016/j.mencom.2007.03.013
Publication status	Published - Mar 2007

Keywords

INDEPENDENT CHEMICAL-SHIFTS
STABLE CARBENES
AB-INITIO
AROMATICITY
STABILIZATION
STABILITY
STORAGE
NICS

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10.1016/j.mencom.2007.03.013

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title = "Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene",

abstract = "The Raman, IR and UV spectra of 1,3-di-tert-butylimidazol-2-ylidene ((BuNCH)-N-t=CHNBut)C-II and quantum chemistry calculations of its normal mode frequencies and eigenvectors and the NICS index are reported.",

keywords = "INDEPENDENT CHEMICAL-SHIFTS, STABLE CARBENES, AB-INITIO, AROMATICITY, STABILIZATION, STABILITY, STORAGE, NICS",

author = "Leites, {Larissa A.} and Magdanurov, {Gaidar L.} and Bukalov, {Sergey S.} and Nolan, {Steven Patrick} and Scott, {Natalie M.} and Robert West",

year = "2007",

month = mar,

doi = "10.1016/j.mencom.2007.03.013",

language = "English",

volume = "17",

pages = "92--94",

journal = "Mendeleev Communications",

issn = "0959-9436",

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T1 - Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene

AU - Leites, Larissa A.

AU - Magdanurov, Gaidar L.

AU - Bukalov, Sergey S.

AU - Nolan, Steven Patrick

AU - Scott, Natalie M.

AU - West, Robert

PY - 2007/3

Y1 - 2007/3

N2 - The Raman, IR and UV spectra of 1,3-di-tert-butylimidazol-2-ylidene ((BuNCH)-N-t=CHNBut)C-II and quantum chemistry calculations of its normal mode frequencies and eigenvectors and the NICS index are reported.

AB - The Raman, IR and UV spectra of 1,3-di-tert-butylimidazol-2-ylidene ((BuNCH)-N-t=CHNBut)C-II and quantum chemistry calculations of its normal mode frequencies and eigenvectors and the NICS index are reported.

KW - INDEPENDENT CHEMICAL-SHIFTS

KW - STABLE CARBENES

KW - AB-INITIO

KW - AROMATICITY

KW - STABILIZATION

KW - STABILITY

KW - STORAGE

KW - NICS

UR - http://www.scopus.com/inward/record.url?scp=34047172642&partnerID=8YFLogxK

U2 - 10.1016/j.mencom.2007.03.013

DO - 10.1016/j.mencom.2007.03.013

M3 - Article

SN - 0959-9436

VL - 17

SP - 92

EP - 94

JO - Mendeleev Communications

JF - Mendeleev Communications

IS - 2

ER -

Vibrational and electronic spectra and the electronic structure of an unsaturated Arduengo-type carbene

Abstract

Keywords

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