The Infra-Red Absorption Spectra of Ethylene and Tetra-Deutero-Ethylene under High Resolution

Abstract

The fine structure of several infra-red absorption bands of CZH4 and C2D. have been resolved. From the rotational constants so found, the C -C and C -H distances in this molecule were calculated to be 1.353 and 1.071A, and the H -C -H angle to be 119°55'. An assignment of fundamental frequencies has been made which is consistent with the observed data.

Systematic Theoretical Study of Ethylene Adsorption on δ-MoC(001), TiC(001), and ZrC(001) Surfaces

“…The optimized bond lengths for the isolated ethylene molecule (C−C = 1.33 Å and C−H = 1.09 Å) are very close to those observed in experimental studies. 26,27 As a benchmark, a Pt(111) surface was used. The calculated cell parameter was 4.00 Å, with an error of 2% respect to the experimental value.…”

Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes

“…The assignment of frequen cies given by Thompson and Harris [3], which differs slightly from previous assignments [4 , 5], two equal moments of iner tia (9.82 X 10-s9 g cm 2 ) recalculated from the spectral data on the rotational fine structure [6], a third momen t of inertia (O.575 X lO -39 g cm 2 ) assumed to be equal to that of ethylene [7], an d a symmetry number of four. The foregoing moments of iner tia correspond to th e following d imensions of the molecule of propadiene, which agree well with th ose ob tained from measuremen ts of electron diffraction [8]: C= C, 1.…”

Heat content, free-energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1,500 degrees-K

“…Gallaway and Barker [3] have measured _ the moments of inertia of ethylene accurately from the rotational structure of several infrared bands. Their results have been adopted for the present calculations.…”

“…The vibrational assignment of Gallaway and Barker [3] has been adopted. The The only symmetry element of the propylene molecule is the plane of the skeletal frame, C=C-C.…”