181 1 ' Spartein . 2 THF kristallisieu in der monoklinen Raumgruppe P2,, u = 921.6(10), b =1766.7(10), r =1098(2)pm, fi =107.65(7)", V = 1703(4) A', Z = 2, Q~~~. =1.127 g~m -~ fur M = 577.8, p = 0.498 mm-'. An einem Kristall der GroBe 0.6 x 0.4 x 0.3 mm wurden auf einem EN-
RAF-NONIUS-Vierkreisdiffraktometermit Graphit-monochromatisierter Cu,,-Strahlung bei 163 K 4606 Reflexe vermessen, von denen 4279 unabhingig (R,,, = 0.0533) und 3467 beobachtet ( F > 4u(F/) waren. Losung (PATSEE) [9] und Verfeinerung im SHELXTL PLUS (VMS)-Programmsystem [lo], R = 0.0837, wR = 0.0764, Nicht-Wasserstoffatome
Articles you may be interested inVibrational spectra and structure of methyl chloroformate and methyl chloroformated 3 Sufficient isotopic combinations have been studied to make complete structural determinations of fluoroform and chloroform from microwave rotational spectra. The dimensions of CHF, are dCH= 1.098A, dCF= 1.332A, and L FCF= 108°48'; those of CHCla are dCH= 1.073A, dCCl= 1.767 A, and L CICCI = 110°24'. M~asurements were made on only the most abundant isotopic species of CHaCCla. If the CCla configuration as III chloroform and the CH, configuration as in methane are assumed, the CC distance in CH,CCla is found to be 1.55A.The absorption spectrum of para-xylene between 2850 and 2350A was photographed using a 3-meter grating spectrograph, and the corresponding fluorescence spectrum between 3125 and 2720A was photographed with a Bausch and Lomb medium quartz spectrograph. The electronic transition involved is interpreted as lA 1g _IB3u with the 0, 0 band at 36733 cm-I . Progressions in the fluorescence spectrum involve the totally symmetric vibrations 829 and 1208 cm-I , while progressions of the corresponding frequencies 775 and 1185 cm-I appear in the absorption spectrum. A weak portion of the spectrum is identified with a socalled forbidden transition involving the ,BIg-COmponent of the 606
Articles you may be interested inMicrowave spectrum, dipole moment, barrier to internal rotation, and molecular structure of germylazide Four low-l rotational transitions of 03 16 have been measured in the region from 42 to llB kmc. The rotational spectroscopic constants found are A = 106,530 0±11 Mc, B= 13,349 06±0 06 Mc, C= 11,834.3± ~.1 Mc The o~ygen nuclei form an isosceles trIangle with an apex angle of 116°49'±30', and the two equal mternuc1~ar distances are 1 278±0.003A:. ~rom the. Stark :~litting of the 20• 2->1 1• 1 transition the dipole moment IS 0.53±0.02 debye Zeeman splittmgs of thiS transition show that ozone is not significantly paramagnetic.
The following molecular electric dipole moments, in Debye units, have been obtained from the Stark effect of pure rotational spectra observed in the microwave region: 0.234±0.004 for NF3; 1.03±0.01 for PF3; 1.77±0.02 for POF3; 3.00±0.02 for HCN; 3.92±0.06 for CH3CN; 3.83±0.06 for CH3NC; 1.79±0.02 for CH3F; 0.75±0.01 for CH3CCH; 1.26±0.01 for SiF3H. All values apply to the ground vibrational state.
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