7789-25-5Relevant articles and documents
A quantum mechanical, time-dependent wave packet interpretation of the diffuse structures in the S0 --> S1 absorption spectrum of FNO: Coexistence of direct and indirect dissociation
Suter, Hans Ulrich,Huber, J. Robert,Dirke, Michael von,Untch, Agathe,Schinke, Reinhard
, p. 6727 - 6734 (1992)
We have investigated the photodissociation of FNO in the first absorption band (S0 --> S1) by a two-dimensional wave packet study based on an ab initio potential energy surface.The quantum chemical calculations were performed in the multiconfiguration self-consistent field (MCSCF) approach including the N-O and the F-NO bond distances with the FNO bond angle being fixed.The most striking feature of the time-dependent dynamical analysis is a bifurcation of the wave packet near the Franck-Condon point: while one part of the wave packet leaves the inner region of the potential energy surface very rapidly, a second part remains trapped for several periods in an extremely shallow well at short F-NO distances.The direct part leads to a broad background in the absorption spectrum while the trapped portion of the wave packet gives rise to relatively narrow resonances, i.e., well resolved diffuse vibrational structures.The bandwidth decreases with the degree of internal excitation.The calculated spectrum agrees well with the measured one.
Burley, Joel D.,Miller, Charles, E.,Johnston, Harold S.
, p. 377 - 391 (1993)
EFFICIENT PURELY CHEMICAL CW LASER OPERATION
COOL TA,STEPHENS RR
, p. 55 - 58 (1970)
Continuous-wave laser operation at 10. 6U has been achieved in the DF-CO//2 and HF- CO//2 molecular systems by purely chemical means. No external energy sources are required; both lasers operate solely by the simple mixing of bottled gases. Experimental r
Thermally persistent fluorosulfonyl nitrene and unexpected formation of the fluorosulfonyl radical
Zeng, Xiaoqing,Beckers, Helmut,Willner, Helge
, p. 2096 - 2099 (2013/04/23)
Thermally persistent triplet sulfonyl nitrene, FSO2N, was produced in the gas phase in high yields (up to 66%) by flash vacuum pyrolysis of FSO2N3. Surprisingly, no rearrangement of FSO 2N was observed, but the
Kinetics and mechanisms of the thermal gas-phase reactions of CF3OF and CF3OOCF3 with NO2
Czarnowski
, p. 83 - 94 (2007/10/03)
The kinetics of the reactions of CF3OF and CF3OOCF3 with NO2 have been investigated using a conventional static system. The reaction between CF3OF and NO2 has been studied in a quartz reactor in the temperature range of 313.2-334.2 K, varying the initial pressure of CF3OF between 19.4 and 165.2 Torr and that of NO2 + N2O4 between 18.2 and 179.2 Torr. Some experiments were made in presence of 506.5-600.8 Torr of N2. The total pressure had no influence on the reaction rate. COF2 and FNO2 were identified as reaction products. The expression obtained for the rate constant for the abstraction of fluorine atom from CF3OF by NO2 was: k1 = (1.1±0.2) × 109 exp(-16.4±1 kcal mol-1/ RT) dm3 mol-1 s-1. The reaction of CF3OOCF3 with NO2 has been studied in an aluminum reactor in the temperature range of 474.0-512.5 K, varying the initial pressure of CF3OOCF3 between 24.1 and 202.5 Torr and that of NO2 between 24.7 and 202.7 Torr. Several experiments were made in presence of 399.8-490.5 Torr of N2. The reaction rate was proportional to [CF3OOCF3]1/2. The reaction approached the first order with respect to NO2 at low pressure of NO2. Increasing the pressure of NO2, the ratio of the reaction rates increased more rapidly than the ratio of the corresponding concentrations of NO2. Three products were formed: COF2, FNO and O2. The expression obtained for the rate constant for the abstraction of the fluorine atom from the radical CF3O by NO2 was: k8 = (1.72±0.4) × 109 exp(-10.8±1 kcal mol-1/RT) dm3 mol-1 s-1. The mechanisms for both reactions were postulated. by Oldenbourg Wissenschaftsverlag, Muenchen.
