Imaging H2O photofragments in the predissociation of the HCl-H2O hydrogen-bonded dimer.
نویسندگان
چکیده
The state-to-state vibrational predissociation (VP) dynamics of the hydrogen-bonded HCl-H(2)O dimer was studied following excitation of the dimer's HCl stretch by detecting the H(2)O fragment. Velocity map imaging (VMI) and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated product energy distributions. Following vibrational excitation of the HCl stretch of the dimer, H(2)O fragments were detected by 2 + 1 REMPI via the C (1)B(1) (000) ← X (1)A(1) (000) transition. REMPI spectra clearly show H(2)O from dissociation produced in the ground vibrational state. The fragments' center-of-mass (c.m.) translational energy distributions were determined from images of selected rotational states of H(2)O and were converted to rotational state distributions of the HCl cofragment. The distributions were consistent with the previously measured dissociation energy of D(0) = 1334 ± 10 cm(-1) and show a clear preference for rotational levels in the HCl fragment that minimize translational energy release. The usefulness of 2 + 1 REMPI detection of water fragments is discussed.
منابع مشابه
Experimental and theoretical investigations of the dissociation energy (D0) and dynamics of the water trimer, (H2O)3.
We report a joint experimental-theoretical study of the predissociation dynamics of the water trimer following excitation of the hydrogen bonded OH-stretch fundamental. The bond dissociation energy (D0) for the (H2O)3 → H2O + (H2O)2 dissociation channel is determined from fitting the speed distributions of selected rovibrational states of the water monomer fragment using velocity map imaging. T...
متن کاملImaging the state-specific vibrational predissociation of the hydrogen chloride-water hydrogen-bonded dimer.
The state-to-state vibrational predissociation dynamics of the hydrogen-bonded HCl-H(2)O dimer were studied following excitation of the HCl stretch of the dimer. Velocity-map imaging and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated product energy distributions. Following vibrational excitation of the HCl stretch of the dimer, HCl fragments were detect...
متن کاملHigh-Level Quantum Chemical Calculations of Ozone-Water Complexes
The structural and energetic characteristics of O3–H2O complexes have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Six conformers were found for the O3–H2O complex. Two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional O∙∙∙H hyd...
متن کاملRayleigh light scattering of hydrogen bonded clusters investigated by means of ab initio calculations
Ab initio calculations of depolarization ratios and intensities of classically scattered light, in terms of dipole polarizabilities and polarizability anisotropies, are reported for different hydrogen bonded molecular clusters. Five different groups of organic heterodimers formed with water are considered: HCHO · · ·H2O, CH3HO · · ·H2O, HCOOH · · ·H2O, CH3CN · · ·H2O, and (CH3)2CO · · ·H2O, tog...
متن کاملOvertone spectroscopy of H2O clusters in the V(OH) = 2 manifold: infrared-ultraviolet vibrationally mediated dissociation studies.
Spectroscopy and predissociation dynamics of (H2O)2 and Ar-H2O are investigated with vibrationally mediated dissociation (VMD) techniques, wherein upsilon(OH) = 2 overtones of the complexes are selectively prepared with direct infrared pumping, followed by 193 nm photolysis of the excited H2O molecules. As a function of relative laser timing, the photolysis breaks H2O into OH and H fragments ei...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- The journal of physical chemistry. A
دوره 115 25 شماره
صفحات -
تاریخ انتشار 2011