Calculation of excited-state distortions and the missing-mode effect from the high-resolution emission spectrum of trans-bis[bis(diphenylphosphino)ethane]bis(dinitrogen)tungsten

1989 ◽  
Vol 28 (18) ◽  
pp. 3519-3523 ◽  
Author(s):  
Londa J. Larson ◽  
Jeffrey I. Zink

1975 ◽  
Vol 53 (15) ◽  
pp. 1477-1482 ◽  
Author(s):  
Walter J. Balfour ◽  
Hugh M. Cartwright

The visible emission spectrum of MgD has been reexamined at high resolution. Published analyses of the A2Π → X2Σ+ system have been extended and the data have been combined with observations in the B′2Σ+ → X2Σ+ system to provide information on the ground state levels ν = 3, 4, 5, and 6 for the first time. The following molecular constants (in cm−1) have been determined—for the A2Π state: ωc = 1154.75, ωcxc = 16.675, Bc = 3.2190, Dc = 9.64 × 10−5 and for the X2Σ+ state: ωc = 1077.71, ωcxc = 15.92, Bc = 3.0306, and Dc = 9.39 × 10−5. The dissociation energies in the A2Π and X2Σ+ states have been estimated to be ~ 15 500 cm−1 and ~ 11 500 cm−1 respectively. The MgH/MgD isotope effect and the Λ doubling in the A2Π state are discussed.



1956 ◽  
Vol 34 (10) ◽  
pp. 1046-1074 ◽  
Author(s):  
J. H. Callomon

Schüler and Reinebeck have described a new spectrum which was observed in a discharge through a mixture of an inert gas and the vapor of any of a number of organic compounds. This spectrum was labelled "T". Further experiments by the authors provided evidence that the carrier of the "T" spectrum was the diacetylene molecule. The "T" spectrum has now been reinvestigated using both normal and fully deuterated diacetylenes in a helium discharge and photographed on grating instruments with very high resolving powers. Previous vibrational assignments were extended, and the rotational structure was completely analyzed in four bands. The results, together with other evidence, show that the carrier of the "T" spectrum is the diacetylene ion, C4H2+. The vibrational and rotational constants differ but little from those of the diacetylene ground state. The spectrum involves a transition between the first excited state A2Πu(i) and the ground state X2Πg(i) of the ion and is analogous in detail to the well-known Fox, Duffendack, and Barker system of CO2+.





1978 ◽  
Vol 72 (2) ◽  
pp. 189-199 ◽  
Author(s):  
C Amiot ◽  
C Effantin ◽  
J d'Incan ◽  
J Verges


1976 ◽  
Vol 54 (24) ◽  
pp. 2429-2434 ◽  
Author(s):  
B. R. Yadav ◽  
S. B. Rai ◽  
D. K. Rai

The visible emission spectrum of the GdO molecule has been produced in a DC arc source and has been photographed in the first order of a 10.6 m grating spectrograph. Bands are shown to have a six-headed structure and improved vibrational constants have been obtained in this study. Isotopic shifts have been calculated for the various isotopic molecules. Tentative suggestions regarding the nature of the transition have been made.



1972 ◽  
Vol 50 (12) ◽  
pp. 1402-1408 ◽  
Author(s):  
S. M. Japar

The 2800 Å band system of p-dibromobenzene has been photographed under high resolution and an extended vibrational analysis has been carried out. The analysis is not inconsistent with the assignment of the system to a 1B2u ← 1Ag transition, by analogy with other p-dihalogenated benzenes. The observed spectrum can be explained in terms of a number of strong type-B vibronic bands and a considerably smaller number of type-A vibronic bands. The extensive sequence structure is adequately accounted for, and can be related to observations on other halogenated benzene molecules. Thirteen ground state and nine excited state fundamental vibrational frequencies have been assigned.



2012 ◽  
Vol 9 (1) ◽  
pp. 253-259 ◽  
Author(s):  
Hamid Najib ◽  
Siham Hmimou ◽  
Hicham Msahal

The high-resolution Fourier transform infrared spectrum of nitrogen trifluoride NF3has been studied in the v1+ v4perpendicular band region around 1523 cm−1. All experimental data have been refined applying various reduction forms of the effective rovibrational Hamiltonian developed for an isolated degenerate state of a symmetric top molecule. The v1= v4= 1 excited state of the14NF3oblate molecule was treated with models taking into account ℓ- andk-type intravibrational resonances. Parameters up to sixth order have been accurately determined and the unitary equivalence of the derived parameter sets in different reductions was demonstrated.







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