Ionization energy studies for Cl2O monomers and dimers

Electron ionization cross sections measured close to threshold are reported for the Cl2O monomer and dimer using a high resolution electron impact apparatus. Besides measuring the appearance energies (AEs) (Cl2O+/Cl2O) = 11.04±0.06 eV, (ClO+/Cl2O) = 12.29 ± 0.14 eV, (Cl+/Cl2O) = 16.11 ± 0.35 eV, (O+/Cl2O) = 15.15 ± 0.14 eV we have also determined, for the first time, the dimer AE (Cl2O)2+/(Cl2O)2 = 10.47±0.2 eV. From the data we derive a lower bound of the bond energy of 0.71±0.3 eV for (Cl2O)2+ which is similar to that of other dimer ions. Quantum chemical calculations carried out to complement the present study support the experimental data.

[1]  T. Märk,et al.  Ionization energy studies for ozone and OClO monomers and dimers , 2002 .

[2]  Nigel J. Mason,et al.  An Introduction to environmental physics , 2001 .

[3]  T. Märk,et al.  Threshold electron impact ionization of carbon tetrafluoride, trifluoromethane, methane and propane , 2000 .

[4]  K. Weitzel,et al.  Gaussian-2 and Gaussian-3 Study of the Energetics and Structures of Cl2Onand Cl2On+,n= 1-7 , 2000 .

[5]  H. Baumgärtel,et al.  PHOTOIONIZATION MASS SPECTROMETRY OF CHLORINE OXIDES , 1999 .

[6]  S. Price,et al.  Single and double electron-impact ionization of dichlorine monoxide (Cl2O) , 1999 .

[7]  T. Märk,et al.  Dissociative electron attachment to CF2Cl2 , 1999 .

[8]  T. Märk,et al.  HIGH-RESOLUTION ELECTRON IONIZATION STUDY OF CO, (CO)2 AND (CO)3 : APPEARANCE ENERGIES AND BOND DISSOCIATION ENERGIES , 1998 .

[9]  N. Mason,et al.  On the high-resolution HeI photoelectron spectrum of Cl2O , 1998 .

[10]  N. Mason,et al.  Absolute cross sections for the VUV optical absorption of Cl2O in the 6.5–9.7 eV energy range , 1997 .

[11]  T. Märk,et al.  Appearance and ionization energies of multiply-charged C70 parent ions produced by electron impact ionization , 1997 .

[12]  L. Stief,et al.  Ionization Energy of Cl2O and ClO, Appearance Energy of ClO+ (Cl2O), and Heat of Formation of Cl2O , 1996 .

[13]  J. Orlando,et al.  High-Resolution Infrared Spectrum of the ν1and ν3Bands of Dichlorine Monoxide, Cl2O , 1996 .

[14]  R. Flesch,et al.  PHOTODISSOCIATION OF A(2A2)-EXCITED OCLO AND ITS AGGREGATES , 1994 .

[15]  T. Märk,et al.  Experimental investigation of the electron impact ionization cross-section behaviour near threshold , 1994 .

[16]  A. Becke Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[17]  Krishnan Raghavachari,et al.  Gaussian-2 theory for molecular energies of first- and second-row compounds , 1991 .

[18]  Martin Head-Gordon,et al.  Quadratic configuration interaction. A general technique for determining electron correlation energies , 1987 .

[19]  T. Märk,et al.  Experimental studies on cluster ions , 1985 .

[20]  Michael J. Frisch,et al.  Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets , 1984 .

[21]  J. Pople,et al.  Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions , 1980 .

[22]  L. Andrews,et al.  Argon matrix Raman spectra of dichlorine monoxide and its photolysis products monochlorine monoxide and chlorine-monochlorine monoxide. Infrared matrix spectra of monochlorine monoxide and dimeric monochlorine monoxide , 1973 .

[23]  F. G. Herring,et al.  Photoelectron Spectra of F2O and Cl2O , 1971 .

[24]  I. Fisher Intermediates in the pyrolysis and mass spectrometry of chlorine monoxide and chlorine heptoxide , 1968 .