TITLE

Structure and energetics of CF[sub 3]Cl-, CF[sub 3]Br-, and CF[sub 3]- radical anions

AUTHOR(S)
Roszak, S.; Koski, W. S.
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/8/1997, Vol. 106 Issue 18, p7709
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents theoretical studies for radical anions and its parent molecules. Geometry optimization; Complete basis set extrapolation method for the Moller-Plesset second-order perturbation theory; Molecular and ionic structures and the nature of the chemical bond.
ACCESSION #
4212279

 

Related Articles

  • Spin statistical factor in the reactions of excess electron scavenging by stable nitroxyl radicals. Borovkov, V.; Matveeva, A.; Ivanishko, I.; Beregovaya, I.; Reznikov, V. // Doklady Physical Chemistry;Sep2011, Vol. 440 Issue 1, p174 

    The article presents a study which examines the demonstration of spin statistical factor in the excess electron scavenging reaction with stable nitroxyl radicals. It says that the assessment of the kinetics of ion-molecular reactions was utilized to reveal the spin effects in the reaction. It...

  • Phytochemical Screening and Polyphenolic Antioxidant Activity of Aqueous Crude Leaf Extract of Helichrysum pedunculatum. Aiyegoro, Olayinka A.; Okoh, Anthony I. // International Journal of Molecular Sciences;Nov2009, Vol. 10 Issue 11, p4990 

    We evaluated the in vitro antioxidant property and phytochemical constituents of the aqueous crude leaf extract of Helichrysum pedunculatum. The scavenging activity on superoxide anions, DPPH, H2O2, NO and ABTS; and the reducing power were determined, as well as the flavonoid, proanthocyanidin...

  • The effects of vibrational resonances on Renner-Teller coupling in triatomic molecules: The.... Duxbury, Geoffrey; McDonald, Barry D. // Journal of Chemical Physics;2/8/1998, Vol. 108 Issue 6, p2336 

    Examines the effects of vibrational resonances on Renner-Teller coupling in triatomic molecules. Reason for choosing the stretch-bender reference frame; Effects of nuclear framework bending on electronic states; Application of methylene radical to demonstrate the use of stretch-bender approach.

  • Vibrational effects on the torsional motion of ethyl radical. Johnson, Philip M.; Sears, Trevor J. // Journal of Chemical Physics;11/22/1999, Vol. 111 Issue 20, p9222 

    Describes the interaction between molecules of ethyl radical with small torsional barrier. Range of action between internal rotation and other normal modes of the molecule; Use of electronic structure calculations to estimate both the electronic and vibrational contributions to the barrier.

  • Gas-phase reactions of oxide and superoxide radical anions with C[sub6]F[sub6]. Knighton, W.B.; Miller, T.M.; Viggiano, A.A.; Morris, R.A.; Van Doren, J.M. // Journal of Chemical Physics;12/1/1998, Vol. 109 Issue 21, p9632 

    Comments on the gas-phase reactions of oxide and superoxide radical anions with hexafluorobenzene. Methods and procedures of an experiment to determine these reactions; Results; Conclusions and discussion.

  • Vibronic coupling in benzene cation and anion: Vibronic coupling and frontier electron density in Jahn-Teller molecules. Tokunaga, Ken; Sato, Tohru; Tanaka, Kazuyoshi // Journal of Chemical Physics;4/21/2006, Vol. 124 Issue 15, p154303 

    Vibronic coupling constants of Jahn-Teller molecules, benzene radical cation and anion, are computed as matrix elements of the electronic part of the vibronic coupling operator using the electronic wave functions calculated by generalized restricted Hartree-Fock and state-averaged complete...

  • multivalent.  // Taber's Cyclopedic Medical Dictionary (2009);2009, Issue 21, p1507 

    A definition of the term "multivalent," which refers to having the ability to combine with more than two atoms of a univalent element or radical, is presented.

  • Yield determination of OH (v=0,1) radicals produced by the electron-ion recombination of... Gougousi, Theodosia; Johnsen, Rainer; Golde, Michael F. // Journal of Chemical Physics;8/15/1997, Vol. 107 Issue 7, p2440 

    Determines the yield of OH radicals produced by the electron-ion recombination of protonated molecules. Yield for v=0 radicals determined relative to the known OH yield from the recombination of H[sub 3]O[sup +] ions.

  • Spectroscopic study of Λ-doublet, spin, and rotational relaxation in the NH(A 3Π,v=0) state. Kaes, A.; Stuhl, F. // Journal of Chemical Physics;10/1/1992, Vol. 97 Issue 7, p4661 

    Electronically excited NH(A 3Π) radicals in single N’, J’, e/f states were investigated by pumping on isolated NH(A←X) lines of the (0,0) band. Collision-induced transitions among the different Λ-doublet, spin, and rotational states were monitored by fluorescence...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics