The 3500 transition of formaldehyde-h2, d2, and hd

Job, V.A.; Venkatesan, Shanmuganathan; Innes, K. K.

doi:10.1016/0022-2852(69)90274-4

Cited by 182 publications

(43 citation statements)

References 26 publications

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“…The latter band is assigned by Job et al 23 to 3~ 4L resulting in a v 3 =887 cm-i . We calculate, however, that the 3~ 4~ band has an intensity 17 times larger than the 3~ 4i band (see Table VI); assigning 3~ 4~ to this band rea.u.…”

Section: L!-mentioning

confidence: 84%

“…Peak 4 has however been observed by Job et al,23 the other ones have never been observed, but they have never been looked for due to the wrong assignment of mode 3.…”

Section: L!-mentioning

confidence: 93%

“…23 It is in fact based on only two bands: the first one a type B band in HDCO at 874 cm-i from the 0-0 band. This 874 cm-i band is assigned by Job et al 23 to 3~ 4~ ; however, this band does not occur in H 2 CO and D 2 CO spectra at the required places. The other one is a type B hot band in H 2 CO at 262 cm-i from the 0-0 band.…”

Section: L!-mentioning

confidence: 99%

“…In formaldehyde the type A bands have an intensity of 3-5% of the type B bands. 23 It is estimated from experiment that the type B bands contribute 75% of the total oscillator strength, the rest being type C. From symmetry considerations 27 one can derive that mode 4 should give a transition moment along the y axis (type B bands), and mode 5 and 6 along the z axis (type C bands), all other transition moments being zero. (The axes are defined in such a way that the carbon atom is the origin; the CO-bond lies on the x axis and the planar molecule defines the xy plane.)…”

Section: L!-mentioning

confidence: 99%

“…With Table IV we can predict which "cold" (starting from Xoo) bands will occur in the uv spectrum of formaldehyde. First we have to remark that we are here only conSidering bands with type B or C polarization, as the type A bandS are magnetic dipole transitions 23 or transitions caused by a combination of odd quanta in the BI (mode 4) and B2 (mode 5 and 6) vibrations. 23 The latter combination transitions are not found with the present treatment, because it was assumed that the six-dimensional integral for the transition moment can be approximated by a product of six one-dimensional integrals [see Eq.…”

Section: L!-mentioning

confidence: 99%

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A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

Dijk

Kemper

Kerp

et al. 1978

The Journal of Chemical Physics

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This paper reports an ab initio CI calculation of the radiative lAl->IA2 transition of H 2 CO and D2eO. Throughout the calculation the electronic wavefunctions and transition moments are explicitly calculated as functions of the nuclear geometry. contrary to the conventional Herzberg-Teller approach. The evaluation of the vibrational wavefunctions and integrals was made numerically. The results show that the excited state frequency for mode 3 has to be reassigned and that the calculated vibrational structure agrees well with the experimental intensities.

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Section: L!-mentioning

confidence: 84%

“…Peak 4 has however been observed by Job et al,23 the other ones have never been observed, but they have never been looked for due to the wrong assignment of mode 3.…”

Section: L!-mentioning

confidence: 93%

Section: L!-mentioning

confidence: 99%

Section: L!-mentioning

confidence: 99%

Section: L!-mentioning

confidence: 99%

See 3 more Smart Citations

A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

Dijk

Kemper

Kerp

et al. 1978

The Journal of Chemical Physics

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Photochemistry of Simple Aldehydes and Ketones in the Gas Phase

Lee

Lewis

1980

Advances in Photochemistry

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Direct Investigation of the Reaction CH₂(X̃³B₁) + O(³P) with the LMR

Böhland

Temps

Wagner

1984

Ber Bunsenges Phys Chem

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The radii of hydrated K+ and Li + ions (Stokes radius) are 0. 125 and 0.273 nm, respectively [20). In each composite membrane, P to K + ion is about two times as large as that to Li + ion below Te, being inversely proporlional to the radius of hydrated ion.This result indicates that the permeation characteristic is mainly controlled by the diffusion process because the ratio of diffusion coefficients for K + and Li + ions estimated by Stokes' equation of motion is comparable to the experimental ratio of P K + and P Li +. In contrast, P K + is almost equal to P Li + above Te in spite of a large difference between the radii of hydrated ions. Therefore, holes or vacancies with the sufficient size for diffusion of K + and Li + ions must be formed in the Iiposomes in a liquid crystalline state. Then, the magnitude of permeation of K + or Li + ions through liquid crystalline domain becomes comparable. The magnitude of P to cations for the cationic composite membrane (PYC/DOAB system) were greater nearly ten times as much as that for the anionic one (PYC/SDDP system) as shown in Fig. 12. Permeating ions are easily incorporated into the fix-charged membrane with an opposite sign. Furthermore, the mobility of the cation within the anionic composite membrane is lower than that within the cationic one, since the permeating cations interact with the fixed charge of the anionic membrane strongly. Therefore, P K + and P Li + for the anionic composite membrane were much less than those for cationic one because of the lower permeability of Cl ion and the strong interaction of the cation with didodecylphosphate anion.The reaction (1) has been studied at room temperature in an isothermal discharge flow reactor. Methylene-radicals and oxygen-atoms have been monitored with a Far-Infrared Laser Magnetic Resonance spectrometer. The rate constant of reaction (1) was evaluated from the pseudo first order decay of CH 2 in the presence of a large excess of O-atoms. The influence of side and consecutive reactions has been investigated in a computer simulation of the reaction system. -The final result for the rate constant of reaction (1) is k t (296 K) = (8.1 ± 3.0) . 10 13 cm 3/mol s .The experimental value is compared to theoretical predictions for the high pressure recombination rate constant of CH 2 and O.

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The 3500 transition of formaldehyde-h2, d2, and hd

Cited by 182 publications

References 26 publications

A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

Photochemistry of Simple Aldehydes and Ketones in the Gas Phase

Direct Investigation of the Reaction CH₂(X̃³B₁) + O(³P) with the LMR

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The 3500 transition of formaldehyde-h2, d2, and hd

Cited by 182 publications

References 26 publications

A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

A b i n i t i o CI calculation of the vibrational structure of the 1(nπ*) transition in formaldehyde

Photochemistry of Simple Aldehydes and Ketones in the Gas Phase

Direct Investigation of the Reaction CH2(X̃3B1) + O(3P) with the LMR

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Direct Investigation of the Reaction CH₂(X̃³B₁) + O(³P) with the LMR