title: The Dinitramide Anion, N(NO(2))(2)(-).
abstract: The infrared and Raman spectra of the NH(4)(+), K(+), and Cs(+) salts of N(NO(2))(2)(-) in the solid state and in solution have been measured and are assigned with the help of ab initio calculations at the HF/6-31G and MP2/6-31+G levels of theory. In agreement with the variations observed in the crystal structures, the vibrational spectra of the N(NO(2))(2)(-) anion are also strongly influenced by the counterions and the physical state. Whereas the ab initio calculations for the free N(NO(2))(2)(-) ion indicate a minimum energy structure of C(2) symmetry, Raman polarization measurements on solutions of the N(NO(2))(2)(-) anion suggest point group C(1) (i.e., no symmetry). This is attributed to the very small (<3 kcal/mol) N-NO(2) rotational barrier in N(NO(2))(2)(-) which allows for easy deformation.
authors.affiliation: Hughes STX, Phillips Laboratory, Propulsion Directorate, Edwards Air Force Base, California 93524, Loker Hydrocarbon Research Institute, University of Southern California, Los Angeles, California 90089-1661, United Technologies Research Center, East Hartford, Connecticut 06108, SRI International, Menlo Park, California 94025, and Naval Research Laboratory, Washington, DC 20375-5341.
authors.forename: Karl O.
authors.initials: KO
authors.lastname: Christe
authors.forename: William W.
authors.initials: WW
authors.lastname: Wilson
authors.forename: Mark A.
authors.initials: MA
authors.lastname: Petrie
authors.forename: Harvey H.
authors.initials: HH
authors.lastname: Michels
authors.forename: Jeffrey C.
authors.initials: JC
authors.lastname: Bottaro
authors.forename: Richard
authors.initials: R
authors.lastname: Gilardi