Microwave spectra of deuterated ethylenes: Dipole moment and rz structure

High-resolution FTIR spectrum of the ν12 band of ethylene-d (C2H3D)

“…A detailed section of the P branch region of C 2 H 3 D. [8] and 12 C 2 D 4 [9] was also employed to fit the assigned transitions of m 12 of C 2 H 3 D. This program for fitting asymmetric rotor spectra uses a Watson Hamiltonian [18] with an I r representation in an A-reduction. Ground state rovibrational constants of C 2 H 3 D inclusive of all five quartic terms were initially taken from Hirota et al [6]. These constants represent the most accurate values available for C 2 H 3 D. They were derived with high precision from 21 observed transitions in the microwave spectra of C 2 H 3 D. The accuracies of all five quartic constants were improved during the fit.…”

“…Furthermore, infrared measurements and analyses [5] of C 2 H 3 D in the 2830-3270 cm À1 region with a resolution better than 0.030 cm À1 were conducted to study the Fermi resonance between m 1 and m 5 , and to derive rotational and centrifugal distortion constants for m 5 , m 2 + m 3 , and m 9 . The pure rotational spectra of C 2 H 3 D were observed and analysed by microwave spectroscopy [6]. In this work [6], accurate rotational and centrifugal distortion constants in the ground state were determined, and the average structure of C 2 H 3 D molecule was also calculated.…”

“…The pure rotational spectra of C 2 H 3 D were observed and analysed by microwave spectroscopy [6]. In this work [6], accurate rotational and centrifugal distortion constants in the ground state were determined, and the average structure of C 2 H 3 D molecule was also calculated. Most of the recent high resolution (at 0.004 cm À1 or better) FTIR studies on the ethylene molecules were focussed on C 2 H 4 [7,8], C 2 D 4 [9][10][11], trans-C 2 H 2 D 2 [12,13], cis-C 2 H 2 D 2 [14,15], and 1,1-ethylene-d 2 [16].…”

“…Ground state and upper state (v 12 = 1) constants (cm À1 ) for C 2 H 3 D (A-reduction, I r representation) Ground state[6] a v 12 = 1…”

A new synthetic route to pentacarbonylalkene complexes of tungsten(0): X-ray crystal structure of [W(CO)5(η2-C2H4)]

“…The shortest W-CO distance is observed for CO in the trans position to the g 2 -ethene ligand, which is consistent with the better p-acceptor properties of carbonyl than ethene ligand. While the average W-(C@C) bond distance of 2.43 Å in 1 is only slightly shorter than in a series of structurally characterized [W(CO) 5 (g 2 -olefin)] compounds [4,7,16], the C@C bond length of 1.339(9) Å in 1 is practically the same as in free ethene (1.339 Å ) [23] and substantially shorter than the corresponding bonds in trans-[W(CO) 4 (g 2 -C 2 H 4 ) 2 ] (1.413(13) Å [8]) and in mer-[W(CO) 3 (g 2 -C 2 H 4 ) (g 4 -C 7 H 10 )] (1.48(1) Å [6]). This indicates a very loose coordination of ethene to the tungsten atom in 1.…”