Dissociation energy of the benzenewater van der Waals complex

Abstract The dissociation energy of the complex C 6 H 6 ·H 2 O was determined by the threshold difference method. These complexes were produced in molecular beams via the expansion of a mixture of helium, and benzene and water vapours in the ratio of 96:3:1. The method requires the ionization potential of C 6 H 6 and the appearance potential of C 6 H + 6 from C 6 H 6 ·H 2 O, the difference between which is the dissociation energy. The necessary values are 9.246 and 9.344 ± 0.012 eV, respectively, from which D (C 6 H 6 ·H 2 O) = 0.098 ± 0.012 eV = 2.25 ± 2.25 ± 0.28 kcal mol −1 . The ionization potential of C 6 H 6 ·H 2 O is 9.170 ± 0.014 eV, which leads to the dissociation energy of the complex ion of D ([C 6 H 6 ·H 2 O] + ) = 4.0 ± 0.4 kcal mol −1 .

[1]  J. Menapace,et al.  Hydrogen bonded and non‐hydrogen bonded van der Waals clusters: Comparison between clusters of pyrazine, pyrimidine, and benzene with various solvents , 1986 .

[2]  William L. Jorgensen,et al.  Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzene , 1990 .

[3]  M. W. Schulz,et al.  Hydrogen-bonded complexes involving benzene as an hydrogen acceptor , 1988 .

[4]  M. T. Coolbaugh,et al.  Cluster beam analysis via photoionization , 1991 .

[5]  Roger E Bumgarner,et al.  Benzene Forms Hydrogen Bonds with Water , 1992, Science.

[6]  Anders Wallqvist,et al.  Intermolecular potentials for the water-benzene and the benzene-benzene systems calculated in an ab initio SCFCI approximation , 1983 .

[7]  T. Zwier,et al.  Size-Specific Infrared Spectra of Benzene-(H2O)n Clusters (n = 1 through 7): Evidence for Noncyclic (H2O)n Structures , 1994, Science.

[8]  J. R. Grover,et al.  Inner‐valence shell photoionization of Ar2, Ar3, Kr2, and Kr3 , 1983 .

[9]  J. Gord,et al.  REMPI fragmentation as a probe of hydrogen bonding in aromatic-X clusters , 1990 .

[10]  Timothy S. Zwier,et al.  Multiphoton ionization studies of clusters of immiscible liquids. I. C6H6–(H2O)n, n=1,2 , 1992 .

[11]  S. Pratt,et al.  Photoionization of ArKr, ArXe, and KrXe and bond dissociation energies of the rare gas dimer ions , 1982 .

[12]  M. W. Schulz,et al.  Explorations on the potential surfaces of AHn-benzene complexes , 1990 .

[13]  E. A. Walters,et al.  On the structure and thermochemistry of the van der Waals molecule benzene-hydrogen chloride complex (C6H6.cntdot.HCl) and its photoion (C6H6.cntdot.HCl)+ , 1985 .

[14]  E. A. Walters,et al.  Cluster beam analysis via photoionization: thiophene seeded in helium and argon and bromotrifluoromethane plus methanol seeded in argon , 1992 .

[15]  H. S. Gutowsky,et al.  Low-J rotational spectra, internal rotation, and structures of several benzene-water dimers , 1993 .

[16]  Timothy S. Zwier,et al.  Hydrogen-bond swapping in the benzene-water complex. A model study of the interaction potential , 1992 .

[17]  L. Pedersen,et al.  Wide amplitude motion in the water–carbon dioxide and water–acetylene complexes , 1992 .

[18]  E. A. Walters,et al.  Competitive production of weakly bound heterodimers in free jet expansions , 1988 .

[19]  E. P. Hunter,et al.  Bonding energies in association ions of aromatic compounds. Correlations with ionization energies , 1978 .

[20]  H. Krause,et al.  Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer , 1990 .

[21]  J. Brédas,et al.  Theoretical studies of the complexes of benzene and pyrene with water and of benzene with formic acid, ammonia, and methane , 1989 .

[22]  E. A. Walters,et al.  Complexes of oxygen with benzene and hexafluorobenzene , 1992 .

[23]  E. A. Walters,et al.  Optimization of weak neutral dimers in nozzle beams , 1986 .

[24]  P. Linse.  General algorithm for calculating vibrational–librational states of a rigid molecule in an external potential. Application to benzene–water complexes , 1988 .

[25]  E. A. Walters,et al.  Measurement of the dissociation energies of gas-phase neutral dimers by a photoionization technique: values for trans-2-butene/sulfur dioxide, (trans-2-butene)2, and benzene/sulfur dioxide , 1985 .

[26]  E. A. Walters,et al.  Dissociation energies of the benzene dimer and dimer cation , 1987 .

[27]  J. D. Augspurger,et al.  Model study of the structures and stabilities of benzene-(H2O)2-12 complexes , 1993 .

[28]  S. Lias,et al.  Ionization Potential and Appearance Potential Measurements, 1971-1981, , 1982 .

[29]  A. Engdahl,et al.  A matrix isolation study of the interaction between water and the aromatic .pi.-electron system , 1987 .

[30]  A. Engdahl,et al.  Water-olefin complexes. A matrix isolation study , 1986 .