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Eigenstate resolved infrared/infrared double resonance spectroscopy of the 3ν1 overtone band of 1propyne: Intramolecular vibrational energy redistribution into a Corioliscoupled bath SubDoppler, infrared laser spectroscopy of the propyne 2ν1 band: Evidence of zaxis Coriolis dominated intramolecular state mixing in the acetylenic CH stretch overtone Spectroscopy and nonradiative relaxtion of propynal J. Chem. Phys. 77, 697 (1982); 10.1063/1.443884Electronimpact spectroscopy of the alkynes: A comparison of propyne and 1butyne with acetyleneThe vibrational overtone spectra of the acetylenic and methyl C-H stretches ofpropyne were obtained for the v = 1 to v = 6 and v = 1 to v = 7 levels, respectively. Propyne-dl was also studied and the methyl C-H stretching overtones were measured from v = 1 to the v = 7 level.The C-D stretch was observed only in the fundamental and first overtone regions. Lower level overtones were obtained by standard infrared techniques, while higher absorptions ( > 12000 cm -I) were obtained by intracavity dye laser photoacoustic spectroscopy. The C-H stretches in both molecules were analyzed in terms of the local-mode model, and harmonic frequencies (lU j ) and anharmonicities (Xu) were calculated. In propyne these values were (acetylenic C-H stretch) lUI = 3384 ± 5 cm -I and X l1 = -50 ± 1 cm -I and (methyl C-H stretch) lU m = 3037 ± 5 cm -I and Xmm = -65 ± 2 cm -I. In propyne-d I the methyl C-H stretch parameters were lU m = 3034 ± 5 cm -,I and X mm = -64 ± 2 cm -I. For propyne, a hot band (V9 -+ V9 + VV I ) accompanying the acetylenic C-H stretch was observed for v = 1-6 and the anharmonic interaction constant (X 19 = -23 ± 7 cm-I ) was calculated. A crossover from normal-to local-mode behavior has been observed for the methyl C-H stretches in propyne and propyne-d I at the v = 3 and 4 levels. Below v = 3 the symmetric and antisymmetric methyl C-H stretches are designated by the usual normal-mode notation (V2 and V6 in propyne; VI and V6 in propyne-dl), while for v>3 the single observed band is designated as a "methyl" C-H stretch, VV m • Peak absorption cross sections have been measured for aV I = 1-5, aV m = 3-5, aV 2 = 1 and 2, and the parallel component of2v6 in propyne, and for aV2 = 1 and 2, aV I = 1 and 2, aV m = 3 and 4, and the parallel component of2v 6 in propyne-dl. During the course of this work the spectral constants of 3,3,3-trifluoropropyne were redetermined. The harmonic frequency lUI is 3376 ± 6 cm -\ the anharmonicity X l1 is -49 ± 1 cm -I, and the anharmonic interaction constant X 17 is -17 ± 6 cm -I.

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C 5H13Cl2CuNO3,m onoclinic, P121/n1(no. 14), a =6.3213(1) Å, b =9.8207(1) Å, c =17.1655(2) Å, b =99.595(2)°, V =1050. . The coordination polyhedra of the Cu 2+ ions in the dimer are two edge-sharing square pyramids (4+1), where the nearly planar base planes are each formed by one oxygen atom of the betaine carboxylate group, one water molecule and two Cl − ions in cis position at distances of 1.960 Å (O1), 2.024 Å (O1W) and 2.207 to 2.282 Å (Cl). Each pyramid is completed in the apical position by the betaine oxygen atom of the CuO 2Cl2 square of the other copper ion in the dimer at adistance of 2.395 Å.These dimers are connected via hydrogen bonds of type O1W···Cl1 (distance 3.179 Å, ∠O−H···Cl =161°) to form chains running along [100] (figure, bottom). There are only van der Waals interactions between the chains. The shortest interchain distance is 4.06 Å between chlorine and the uncoordinated oxygen atom of the carboxylate group.