[Combined outpatient alcoholism therapy and occupational rehabilitation on welfare recipients--results of a pilot study]. / Kombinierte ambulante Alkoholismustherapie und berufliche Rehabilitation bei Sozialhilfeempfängern--Ergebnisse eines Modellprojekts.

This study tested the feasibility of outpatient abstinence treatment among alcohol dependent subjects on welfare. Patients had a long history of alcohol dependence and prolonged unemployment. Over a period of six months a total of 250 patients were approached by the social welfare office and asked to participate in the program. The program involved detoxification and a three month combined alcohol treatment and personal job training. Of the 250 persons approached 96 patients (about 40 %) appeared for the initial examination, 19 patients (13 %) finished detoxification and a total of 5 patients completed the program. The majority of a group of patients considered to be highly therapy resistant did not complete the program. Still it was important to demonstrate that a subgroup of patients did successfully complete this program. We consider this pilot project a successful starting point for further development of treatment approaches targeted more specifically at this group of patients.

Gas-phase structures of acetyl peroxynitrate and trifluoroacetyl peroxynitrate.

The molecular structures and conformational properties of acetyl peroxynitrate (PAN, CH3C(O)OONO2) and trifluoroacetyl peroxynitrate (FPAN, CF3C(O)OONO2) were investigated in the gas phase by electron diffraction (GED), microwave spectroscopy (MW), and quantum chemical methods (HF/3-21G, HF/6-31G*, MP2/6-31G*, B3PW91/6-31G*, and B3PW91/6-311+G*). All experimental and theoretical methods show the syn conformer (C=O bond of acetyl group syn to O-O bond) to be strongly predominant relative to the anti conformer. The O-NO2 bonds are extremely long, 1.492(7) A in PAN and 1.526(10) A in FPAN, which correlates with their low bond energy and the easy formation of CX3C(O)OO* and *NO2 radicals in the atmosphere. The O-O bonds (1.418(12) A in PAN and 1.408(8) A in FPAN) are shorter than that in hydrogen peroxide (1.464 A). In both compounds the C-O-O-N dihedral angle is close to 85 degrees.

The Rotational Spectrum of SO(2) and the Determination of the Hyperfine Constants and Nuclear Magnetic Shielding Tensors of (33)SO(2) and SO(17)O.

Precise frequencies for the 1(11)-2(02) transition of (33)SO(2) and SO(17)O in natural isotopic abundance have been obtained near 12 GHz by microwave Fourier transform spectroscopy in order to yield improved hyperfine constants. Nuclear spin-rotation coupling constants have been determined experimentally for (33)SO(2) for the first time. The spin-rotation constants have been used to derive nuclear magnetic shielding parameters. These parameters are compared with values for the isoelectronic O(3) molecule. The transition mentioned above was also measured for (32)SO(2), (34)SO(2), SO(18)O, and vibrationally excited (v(2) = 1) (32)SO(2). For (33)SO(2), some transitions with large hyperfine splitting were also recorded in the millimeter-wave region. Continuing our investigations of the rotational spectra of SO(2) in the submillimeter region, several transitions of SO(17)O have been recorded with the Cologne terahertz spectrometer between 540 and 840 GHz with J and K(a) up to 63 and 16, respectively. Transitions with high K(a), up to 28, have been recorded with the JPL laser sideband spectrometer between 1.8 and 3.2 THz. Copyright 2000 Academic Press.

The Forbidden Rotational Q-Branch of CH3CF3: Torsional Properties and (A1 - A2) Splittings.

The pure rotational spectrum driven by the small distortion dipole moment perpendicular to the symmetry axis has been investigated between 8 and 18 GHz for CH3CF3 in the ground vibrational state using a pulsed Fourier transform waveguide spectrometer. This molecule has been selected as a prototype for the case of a symmetric top with small ( approximately 500 kHz) torsional energy splittings in the ground torsional state (nu6 = 0). In this state, six (k +/- 3 <-- k) Q-branch series have been measured for lower state K = |k| between 3 and 8 with 27

Microwave and Infrared Spectra, ab Initio Calculation, and Two-Dimensional Model of Amino Group Inversion and Ring Puckering in 2,5-Dihydropyrrole

The microwave spectra of 2,5-dihydropyrrole and 2,5-dihydropyrrole-1-d1 have been measured with Stark and Fourier transform spectrometers in the range 10-39 GHz. Rotational constants, centrifugal distortion constants, and 14N quadrupole coupling constants have been determined from the observed transition frequencies for the ground vibrational state. In addition, two satellites of the normal species and one satellite of the deuterated species have been identified and measured. Splittings of the rotational transitions due to amino group inversion tunneling have been observed and analyzed. Infrared transitions of the amino group inversion mode have been measured in the range 490-720 cm-1. The effect of ring puckering on the inversion motion of the amino group in 2,5-dihydropyrrole and 2,5-dihydropyrrole-N-d1 has been investigated by ab initio calculations and two-dimensional flexible model calculations from the results of microwave and infrared spectroscopy. The observed molecular properties have been reproduced by a model which involved adjustable parameters for the potential energy surface and the structural relaxation of the CCC valence angles. Additional parameters have been transferred from the ab initio calculations. The adjustment of the model to the experimental data has yielded an equatorial equilibrium conformation with slightly larger CCC valence angle than in the most stable axial conformation. Excitation of the first ring puckering state has been found to enhance the inversion tunnel splittings.

A search for interstellar oxiranecarbonitrile (C3H3NO).

We report a search in cold, quiescent and in 'hot core' type interstellar molecular clouds for the small cyclic molecule oxiranecarbonitrile (C3H3NO), which has been suggested as a precursor of important prebiotic molecules. We have determined upper limits to the column density and fractional abundance for the observed sources and find that, typically, the fractional abundance by number relative to molecular hydrogen of C3H3NO is less than a few times 10(-10). This limit is one to two orders of magnitude less than the measured abundance of such similarly complex species as CH3CH2CN and HCOOCH3 in well-studied hot cores. A number of astrochemical discoveries were made, including the first detection of the species CH3CH2CN in the massive star-forming clouds G34.3+0.2 and W51M and the first astronomical detections of some eight rotational transitions of CH3CH2CN, CH3CCH, and HCOOCH3. In addition, we found 8 emission lines in the 89 GHz region and 18 in the 102 GHz region which we were unable to assign.