Etude du système A–X de PD2

1976 ◽  
Vol 54 (13) ◽  
pp. 1375-1382 ◽  
Author(s):  
M. Vervloet ◽  
J. M. Berthou
Keyword(s):  
Experimental Data ◽  
Excited State ◽  
Ground State ◽  
The Other ◽  
Good Precision ◽  
Rotational Analysis ◽  
Rotational Constants ◽  
Other Hand

The rotational analysis of the ν′2 ← 0 bands of the A–X system of PD2 has been done for ν′2 = 1 to 10. The set of the 1034 difference combinations has permitted us to determine with good precision the rotational constants of the ν″2 = 0 level of the ground state. A comparison with the corresponding constants of PH2 has shown that the application of isotopic relations to the rotational constants leads to a very good approximation in the prevision of these constants.The excited state levels are marked by large amplitudes and the Renner effect. The BDD model already applied to PH2 fits very well with the PD2 experimental data. On the other hand, although localized perturbations are less numerous in the PD2 spectrum, the presence of some intense non-identified lines suggests that interactions between higher levels of the X(2B1) state and the first levels of the A(2A1) state are to be expected.[Journal translation]

Rotational band contours in the 3280 Å electronic system of 2, 1, 3-benzothiadiazole

1969 ◽  
Vol 308 (1495) ◽  
pp. 537-545 ◽  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Vibrational Analysis ◽  
Electronic System ◽  
Type I ◽  
Rotational Analysis ◽  
Rotational Constants ◽  
Symmetry Species ◽  
Asymmetric Top ◽  
Band Type

Rotational analysis of band contours of the 0-0 band at 3280 Å and a 1-0 band at 3230 Å of the asymmetric top 2, 1, 3-benzothiadiazole have been carried out. The method used is that of computer simulation of the observed contour with the band type, i. e. rotational selection rules, and excited state rotational constants A ´, B ´, and C ´ as input data. It is shown that the 0-0 band is type B and therefore that the electronic assignment is 1 B 2 - 1 A 1 . The 1-0 band at 3230 Å is shown to be a type A band from which it follows that the vibration active in this band must be of symmetry species b 2 . The excited state rotational constants for the 1 B 2 electronic state are: A ´ = 0·1309±0·0003 cm -1 , B ´ = 0·0405±0·0001 cm -1 , C ´ = 0·0309±0·0001 cm -1 . The quoted uncertainties are those of the changes of the rotational constants and do not include those of the ground state. The excited state was assumed to be planar and the results support this assumption. One feature of the rotational constants is a slight decrease of I A . This, together with information from a vibrational analysis of the system, is consistent with an increase of the C 5 C 4 C 9 angle in the excited state. The origin of the 0-0 band is at 30410·5±0·2 cm -1 .

ROTATIONAL ANALYSIS OF THE β BANDS OF PHOSPHORUS MONOXIDE

1959 ◽  
Vol 37 (2) ◽  
pp. 136-143 ◽  
Author(s):  
Nand Lal Singh
Keyword(s):  
Ground State ◽  
Band System ◽  
Electronic States ◽  
Rotational Analysis ◽  
Rotational Constants ◽  
Fine Structures ◽  
Π State

The fine structures of three of the β bands of PO which occur near 3200 Å have been analyzed. The analysis shows that the upper state of this band system is a 2Σ and not a 2Π state as previously believed. The rotational constants of both electronic states have been determined and it is found that the ground state constants, previously determined from the γ bands, are incorrect.

About lung surgery

1903 ◽  
Vol 3 (9-10) ◽  
pp. 548-549
Author(s):  
E. Board
Keyword(s):  
Experimental Data ◽  
Lung Tissue ◽  
Lung Surgery ◽  
Operative Intervention ◽  
The Other ◽  
Pulmonary Diseases ◽  
Other Hand

Lung surgery is one of the youngest departments of surgical science. The basis for the development of methods of operative intervention in pulmonary diseases lies in the 1st possibility of preventing the danger of pneumothorax, which (danger) is currently so insignificant that some surgeons consider it even necessary to cause preliminary pneumothorax. On the other hand, the experimental data have shown the possibility of the loss of parts of the lung tissue and the conditions for the healing of its wounds.

scholarly journals Preparation and Thermal and Anti-UV Properties of Chitosan/Mica Copolymer

2010 ◽  
Vol 2010 ◽  
pp. 1-6 ◽  
Author(s):  
Yih-Sheng Huang ◽  
Sheng-Haur Yu ◽  
Yea-Ru Sheu ◽  
Kuo-Shien Huang
Keyword(s):  
Experimental Data ◽  
Thermal Stability ◽  
Free Radical ◽  
Physical Properties ◽  
Ammonium Persulfate ◽  
Sodium Bisulfite ◽  
The Other ◽  
Other Hand

This experiment aims to produce a free radical while annoying the oxidizing-reducing reagent of the ammonium persulfate and the sodium bisulfite under nitrogen, then trigger copolymerization between modified-mica and chitosan to prepare a variety of copolymers. This experiment also aims to study the related properties of these copolymer materials. The experimental data shows that the copolymer has more thermal stability and better absorption of UV than chitosan. But the above physical properties will be less if the mica ratio in copolymer is more than 8%. On the other hand, the SEM photo of the microstructure also shows that the modified mica distributes homogeneously on the surface of the film of the copolymer.

scholarly journals Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects

2020 ◽  
Vol 21 (18) ◽  
pp. 6510
Author(s):  
Alexandre A. de Castro ◽  
Daniel A. Polisel ◽  
Bruna T. L. Pereira ◽  
Elaine F. F. da Cunha ◽  
Kamil Kuca ◽  
...  
Keyword(s):  
Experimental Data ◽  
Mus Musculus ◽  
Active Site ◽  
Theoretical Calculations ◽  
Nerve Agents ◽  
The Other ◽  
Chemical Weapons ◽  
Reactivation Process ◽  
Other Hand

Organophosphorus (OP) compounds are used as both chemical weapons and pesticides. However, these agents are very dangerous and toxic to humans, animals, and the environment. Thus, investigations with reactivators have been deeply developed in order to design new antidotes with better efficiency, as well as a greater spectrum of action in the acetylcholinesterase (AChE) reactivation process. With that in mind, in this work, we investigated the behavior of trimedoxime toward the Mus musculus acetylcholinesterase (MmAChE) inhibited by a range of nerve agents, such as chemical weapons. From experimental assays, reactivation percentages were obtained for the reactivation of different AChE–OP complexes. On the other hand, theoretical calculations were performed to assess the differences in interaction modes and the reactivity of trimedoxime within the AChE active site. Comparing theoretical and experimental data, it is possible to notice that the oxime, in most cases, showed better reactivation percentages at higher concentrations, with the best result for the reactivation of the AChE–VX adduct. From this work, it was revealed that the mechanistic process contributes most to the oxime efficiency than the interaction in the site. In this way, this study is important to better understand the reactivation process through trimedoxime, contributing to the proposal of novel antidotes.

The Interaction of Carbon Black with Sulfur, MBT and TMTD in Vulcanization

1961 ◽  
Vol 34 (2) ◽  
pp. 588-599 ◽  
Author(s):  
G. A. Blokh ◽  
Ch. L. Melamed
Keyword(s):  
Experimental Data ◽  
Carbon Black ◽  
Chemical Reactions ◽  
The Other ◽  
Considerable Importance ◽  
Physical Aspect ◽  
Active Centers ◽  
Other Hand ◽  
The One

Abstract The experimental data collected on the interaction of active centers of carbon black with the rubber on the one hand and of the active centers of carbon black with the sulfur and accelerators, and also with the antioxidants, on the other hand, provide a sound basis for belief that the problem of reinforcement of rubber by active fillers in the process of vulcanization cannot be explained from the physical aspect alone. The facts indicate the considerable importance of the chemical reactions between the active groups of carbon black and the compounding ingredients in the course of vulcanization.

A Hybrid Semi-empirical Model for Lean Blow-Out Limit Predictions of Aero-engine Combustors

2014 ◽  
Vol 137 (3) ◽  
Author(s):  
Bin Hu ◽  
Yong Huang ◽  
Jianzhong Xu
Keyword(s):  
Experimental Data ◽  
Numerical Simulation ◽  
Empirical Model ◽  
The Other ◽  
Model Parameters ◽  
Model Parameter ◽  
Other Hand ◽  
Aero Engine ◽  
Semi Empirical

According to the Lefebvre's model and flame volume (FV) concept, an FV model about lean blow-out (LBO) was proposed by authors in early study. On the other hand, due to the model parameter (FV) contained in FV model is obtained based on the experimental data, FV model could only be used in LBO analysis instead of prediction. In view of this, a hybrid FV model is proposed that combines the FV model with numerical simulation in the present study. The model parameters contained in the FV model are all estimated from the simulated nonreacting flows. Comparing with the experimental data for 11 combustors, the maximum and average uncertainties of hybrid FV model are ±16% and ±10%.

The electronic spectrum of F2

1976 ◽  
Vol 54 (13) ◽  
pp. 1343-1359 ◽  
Author(s):  
E. A. Colbourn ◽  
M. Dagenais ◽  
A. E. Douglas ◽  
J. W. Raymonda
Keyword(s):  
Absorption Spectrum ◽  
Ground State ◽  
Band System ◽  
Rydberg States ◽  
Rotational Analysis ◽  
Interaction Energies ◽  
Rydberg Series ◽  
Rotational Constants ◽  
Vibrational Levels ◽  
Ionic States

The absorption spectrum of F2 in the 780–1020 Å range has been photographed at sufficient resolution to allow a rotational analysis of many bands. A large number of vibrational levels of three ionic states have been observed and their rotational constants determined. Many perturbations in the rotational structure caused by the interaction between the three states have been investigated and the interaction energies determined. The rotational and vibrational structures of a few Rydberg states have also been analyzed in detail but no Rydberg series have been identified. The difficulties in assigning the observed states are discussed. A 1Σu+ – X1Σg+ emission band system has been observed in the 1100 Å region. An analysis of the bands of this system has allowed us to determine the term values and rotational constants of all the vibrational levels of the ground state with ν ≤ 22. The dissociation energy, D0(F2), is found to be greater than 12 830 and is estimated to be 12 920 ± 50 cm−1.

Spectrum of azulene. IV. Rotational analysis of the 0-0 band of the 3500 Ǻ transition

1968 ◽  
Vol 21 (12) ◽  
pp. 2835 ◽  
Author(s):  
AJ McHugh ◽  
DA Ramsay ◽  
IG Ross
Keyword(s):  
Fine Structure ◽  
Excited State ◽  
Type A ◽  
Resolving Power ◽  
Rotational Analysis ◽  
Type B ◽  
Rotational Constants ◽  
Multiple Line ◽  
Asymmetric Top ◽  
Low K

The bands of the 3500 Ǻ transition of azulene-do and azulene-ds show two unequal peaks 2.3 cm-l apart, followed by closely spaced fine structure. These bands have been analysed as type A bands of a planar, prolate asymmetric top. Rotational constants for both molecules in the excited state have been determined. The fine structure is due to multiple line coincidences in the high-J, low-K region of the qP branch. To each multiple line can be attributed a running number n = J+m, where m = J-K-1. Given sufficient resolving power, such "lines" should be rather commonly observed in type A and type B bands of large, planar, prolate molecules.

Vibration-rotation bands of nitrous oxide

1951 ◽  
Vol 208 (1094) ◽  
pp. 326-331 ◽  
Keyword(s):  
Nitrous Oxide ◽  
Fine Structure ◽  
Ground State ◽  
Wave Length ◽  
The Other ◽  
Resolving Power ◽  
Microwave Measurements ◽  
Rotational Constants ◽  
Infra Red ◽  
Vibration Rotation

The infra-red absorption of nitrous oxide gas near 4·5 μ has been re-investigated using high resolving power. The rotational fine structure has been split up and shown to involve two vibrational transitions, one due to absorption of a fundamental from the ground state, and the other to a π → π transition from an excited vibrational level. The transitions have been analyzed theoretically and rotational constants obtained. The results serve to emphasize the importance of using more precise wave-length standards for infra-red measurements than have been used hitherto, if the rotational constants are to be obtained with accuracy com­parable to that achieved by microwave measurements. Excellent agreement with the latter has now been found.

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