Photodissociation of the Cyclopentadienyl Radical at 248 nm

2018 ◽  
Vol 122 (17) ◽  
pp. 4265-4272 ◽  
Author(s):  
Mark Shapero ◽  
Isaac A. Ramphal ◽  
Daniel M. Neumark
Keyword(s):  
Cyclopentadienyl Radical

scholarly journals Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

2015 ◽  
Vol 80 (7) ◽  
pp. 877-888 ◽  
Author(s):  
Ljubica Andjelkovic ◽  
Marko Peric ◽  
Matija Zlatar ◽  
Maja Gruden-Pavlovic
Keyword(s):  
Density Functional ◽  
Chemical Shifts ◽  
High Symmetry ◽  
Functional Theory ◽  
Aromatic Character ◽  
Nucleus Independent Chemical Shift ◽  
Jahn Teller ◽  
Cyclopentadienyl Radical ◽  
Cyclopentadienyl Anion ◽  
Low Symmetry

The aromatic/antiaromatic behavior of the cyclopentadienyl anion (Cp-), bis(?5-cyclopentadienyl)iron(II) (Fe(Cp)2), as well as of the Jahn-Teller (JT) active cyclopentadienyl radical (Cp?) and bis(?5-cyclopentadienyl)cobalt(II) (Co(Cp)2) has been investigated using Density Functional Theory (DFT) calculations of the Nuclear Independent Chemical Shifts (NICS). According to the NICS values, pentagon ring in Fe(Cp)2 is more aromatic than isolated Cp-. The NICS parameters have been scanned along the Intrinsic Distortion Path (IDP) for Cp? and Co(Cp)2 showing antiaromaticity, which decreases with increasing deviation from high symmetry D5h to low symmetry (LS) C2v. Changes in the NICS values along the IDP revealed that Co(Cp)2 in the LS nuclear arrangement has aromatic character, in contrast to the case of Cp?

Rotationally resolved electronic spectrum of jet-cooled cyclopentadienyl radical

1988 ◽  
Vol 92 (15) ◽  
pp. 4263-4266 ◽  
Author(s):  
Lian Yu ◽  
Stephen C. Foster ◽  
James M. Williamson ◽  
Michael C. Heaven ◽  
Terry A. Miller
Keyword(s):  
Electronic Spectrum ◽  
Cyclopentadienyl Radical

Enthalpy of Formation of the Cyclopentadienyl Radical:  Photoacoustic Calorimetry and ab Initio Studies

2006 ◽  
Vol 110 (15) ◽  
pp. 5130-5134 ◽  
Author(s):  
Paulo M. Nunes ◽  
Filipe Agapito ◽  
Benedito J. Costa Cabral ◽  
Rui M. Borges dos Santos ◽  
José A. Martinho Simões
Keyword(s):  
Ab Initio ◽  
Enthalpy Of Formation ◽  
Photoacoustic Calorimetry ◽  
Cyclopentadienyl Radical

Effect of then-butanol Addition on Cyclopentadienyl Radical Formation During Benzene Combustion

2015 ◽  
Vol 56 (1) ◽  
pp. 36-47
Author(s):  
N. Boussid ◽  
Y. Rezgui
Keyword(s):  
Radical Formation ◽  
Cyclopentadienyl Radical

Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks:  Isolation, X-ray Crystal Structure, and ESR Characterization

2004 ◽  
Vol 126 (32) ◽  
pp. 9930-9931 ◽  
Author(s):  
Toshikazu Kitagawa ◽  
Kohei Ogawa ◽  
Koichi Komatsu
Keyword(s):  
Crystal Structure ◽  
X Ray ◽  
Cyclopentadienyl Radical

Excitation and emission spectra of the 2A″2 ↽ → 2E″1 system of the gas-phase cyclopentadienyl radical

1983 ◽  
Vol 74 (2) ◽  
pp. 227-237 ◽  
Author(s):  
H.H. Nelson ◽  
L. Pasternack ◽  
J.R. McDonald
Keyword(s):  
Gas Phase ◽  
Emission Spectra ◽  
Cyclopentadienyl Radical
Sign in / Sign up

Export Citation Format

Share Document