Molecules Containing Five or More Carbon Atoms by G. Graner, E. Hirota, T. Iijima, K. Kuchitsu, D.A. Ramsay,

By G. Graner, E. Hirota, T. Iijima, K. Kuchitsu, D.A. Ramsay, J. Vogt, N. Vogt

In this fourth subvolume, information at the geometric parameters (internuclear distances, bond angles, dihedral angles of inner rotation etc.) of unfastened polyatomic molecules together with loose radicals and molecular ions. This survey on constitution info is made up of 4 subvolumes, each one containing the geometric parameters made up our minds within the fuel part both by way of an research of the rotational constants (and occasionally the vibrational constants) got from microwave, infrared, Raman, digital and photoelectron spectroscopy or by means of an research of electron diffraction intensities. lots of the constructions indexed within the tables are for molecules within the digital floor country, yet constructions for electronically excited states have additionally been incorporated so far as they're on hand. during this fourth subvolume, the constitution of molecules containing 5 to sixty carbon atoms are listed.

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The measurements were made at room temperature. a ) Estimated limits of error, some of them larger than those of the original data. b ) Assumed. c ) Distance between C(4) and the middle of the C(1)=C(2) distance. d ) Weighted mean value of C−F distances. e ) Puckering angle. : J. Phys. Chem. 75 (1971) 1685. 0(5) D2d F F F F F F F F The nozzle temperature was 10 °C. a ) Three times the estimated standard errors including a systematic error. b ) Dependent parameter. : J. Mol. Struct. 101 (1983) 193.

Lando lt -Bö rnst ein New Series II/25D C2v HC≡C−CH2−C≡CH Structure Data of Free Polyatomic Molecules 1909 LIF C5H4Cl Chlorocyclopentadienyl radical 1-Chloro-2,4-cyclopentadien-1-yl C2v . 629(5) Cl The structure was determined by fitting the rotational constants to two parameters, (i) the length of the C−Cl bond, and (ii) distortion of the ring which was assumed to obey the relation R (CCk ) (ring) = RCC(ring) + ∆RCCcos(4kπ/5), where k = 0, ±1, ±2 correspond to the bonds opposite the carbon atoms labelled above.

Phys. Lett. 251 (1996) 189; erratum: 265 (1997) 561. 5(231) O S H C2v symmetry was assumed for the thiophene ring. 5(79)%) and anti conformers. 3(16) kJ mol-1, if ∆ S° is assumed to be zero. For the anti conformer the experimental data were consistent with a planar structure undergoing large torsional motion (φ(anti) = 26(24)°) or with a model having a low torsional barrier at the planar position. The nozzle temperature was 367 K. a ) Twice the estimated standard errors including a systematic error.

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