THE ABSORPTION SPECTRUM OF BO2

1961 ◽  
Vol 39 (12) ◽  
pp. 1738-1768 ◽  
Author(s):  
J. W. C. Johns
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Detailed Analysis ◽  
Ground State ◽  
Flash Photolysis ◽  
Electronic Transitions ◽  
Molecular Constants ◽  
Boron Trichloride ◽  
Symmetric Molecule ◽  
First Excited State

The boron flame bands have been observed in absorption during the flash photolysis of mixtures of boron trichloride and oxygen. Detailed analysis of the spectrum has shown that the bands arise from two electronic transitions in the linear symmetric molecule BO2, [Formula: see text] and A2Πu−X2Πg. The main molecular constants, in cm−1 except for r0, are summarized below:[Formula: see text]Both 2Π states show the Renner effect. In the ground state the Renner parameter, εω2, was found to be −92.2, whereas in the first excited state it is much smaller, −13.1 cm−1.

The spectrum and structure of the free BH 2 radical

1967 ◽  
Vol 298 (1453) ◽  
pp. 142-159 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Ground State ◽  
Electronic Transition ◽  
Flash Photolysis ◽  
Molecular Constants ◽  
Isotope Shifts ◽  
Geometrical Data

A new absorption spectrum has been found in the flash photolysis of H 3 BCO which, from its structure and the observed isotope shifts can be unambiguously assigned to the free BH 2 radical. The spectrum represents a transition similar to those previously observed in NH 2 and CH 2 . The molecule is linear in the excited state but bent (with an angle of 131°) in the ground state. Molecular constants and geometrical data are evaluated. The electronic transition is 2 B 1 ( II u ) – 2 A 1 and fits well with expectation from the Walsh diagram for X H 2 molecules.

The analysis of a 2 A 1 - 2 B 1 electronic band system of the AsH 2 and AsD 2 radicals

1968 ◽  
Vol 305 (1481) ◽  
pp. 271-290 ◽  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Flash Photolysis ◽  
Band System ◽  
Valence Angle ◽  
Electronic Transitions ◽  
Doublet State ◽  
Electronic Band ◽  
Asymmetric Rotor ◽  
Asymmetric Top

Two new band systems have been observed in absorption following flash photolysis of AsH 3 and AsD 3 , and are assigned to 2 A 1 - 2 B 1 electronic transitions of AsH 2 and AsD 2 . The origins of both systems are at 19905 cm -1 . The bands have the complex rotational structure associated with an asymmetric rotor. Rotational analyses have been carried out for three bands of the AsH 2 spectrum, leading to the following molecular parameters: ground state, r" 0 = 1.518 Å valence angle = 90° 44'; excited state, r' 0 = 1.48 Å, valence angle = 123° 0'. The parameters associated with rotation about the a inertial axis increase rapidly with increase in v' 2 . The spectrum shows doublet splittings of up to 41 cm -1 , and the excited state furnishes the first example of a doublet state of an asymmetric top molecule which shows substantial departures from Hund’s case ( b ).

The absorption spectrum of NH2 between 6250 and 9500 Å

1976 ◽  
Vol 54 (17) ◽  
pp. 1804-1814 ◽  
Author(s):  
J. W. C. Johns ◽  
D. A. Ramsay ◽  
S. C. Ross
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Ground State ◽  
Absorption System ◽  
Molecular Constants ◽  
Bending Vibration ◽  
Long Wavelength ◽  
Vibrational Levels

The earlier analysis by Dressier and Ramsay of the [Formula: see text] absorption system of NH2 has been considerably extended at the long wavelength end of the spectrum. All the low-lying vibronic levels of the excited state have been identified up to ν2′ = 8. These levels are 010(K = 0), 020(K = 1), 030(K = 0,2), 040(K = 1,3), 050(K = 0,2,4), 060(K = 1,3,5), 070(K = 0,2,4,6), and 080(K = 1,3,5,7). Large perturbations (~ 200 cm−1) have been observed between some of these levels and high vibrational levels of the ground state. Accurate molecular constants have been obtained for the ground state and for the first level involving the bending vibration (ν2″ = 1).

THE ABSORPTION SPECTRUM OF CNC

1966 ◽  
Vol 44 (2) ◽  
pp. 353-372 ◽  
Author(s):  
A. J. Merer ◽  
D. N. Travis
Keyword(s):  
Absorption Spectrum ◽  
Bond Length ◽  
Ground State ◽  
Flash Photolysis ◽  
Electronic States ◽  
Electronic Transitions ◽  
Ultraviolet Absorption Spectrum ◽  
Rotational Analysis ◽  
Bending Vibrations ◽  
Show Evidence

The ultraviolet absorption spectrum of the free CNC radical has been discovered in the flash photolysis of diazoacetonitrile, HC(CN)N2. The identity of the radical has been proved from isotopic evidence, using 15N and 13C, together with rotational analysis of the bands. Rotational analyses have shown that the bands of CNC must be assigned to two electronic transitions, A2Δu–X 2Πg, and [Formula: see text]. The sequence bands in the bending vibrations, which are observed in both electronic transitions, show evidence of Renner–Teller interaction in both the degenerate electronic states: this interaction is extremely large in the X2Πg state. The principal constants (in cm−1) of the observed states of CNC are as follows:[Formula: see text]The C—N bond length in the ground state of CNC is found to be 1.245 Å.CNC is isomeric with CCN, whose spectrum has been reported previously; some interesting comparisons are made between the spectra of these two molecules.

The A2Πi–X2Πi band system of ClO: Reinvestigation of the absorption spectrum

1976 ◽  
Vol 54 (10) ◽  
pp. 1034-1042 ◽  
Author(s):  
J. A. Coxon ◽  
D. A. Ramsay
Keyword(s):  
Absorption Spectrum ◽  
Ground State ◽  
Flash Photolysis ◽  
Band System ◽  
Resolving Power ◽  
Kcal Mole ◽  
Molecular Constants ◽  
Long Range Interactions ◽  
State Dissociation ◽  
First Time

The A2Πi–X2Πi band system of 35ClO has been reinvestigated in absorption in the flash photolysis of ClO2 and Cl2/O2 mixtures, using higher resolving power than in earlier work. The rotational assignments for the ν′–0 progression have been revised and extended and new molecular constants have been obtained. In addition, four new bands with ν″ = 1 and 2 have been observed for the first time. The value for the ground state vibrational interval is found to be [Formula: see text]. Widths are given for levels with 2 ≤ ν′ ≤ 25 and show that all these levels are predissociated. With the help of the theory of long-range interactions, an improved value for the ground state dissociation energy is obtained, viz. D0″ = 22 184 ± 3 cm−1 (≡ 63.427 ± 0.008 kcal/mole ≡ 2.7504 ± 0.0004 eV).

THE ABSORPTION SPECTRUM OF SH AND SD IN THE VACUUM ULTRAVIOLET

1966 ◽  
Vol 44 (10) ◽  
pp. 2447-2459 ◽  
Author(s):  
B. A. Morrow
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Excited States ◽  
Ground State ◽  
Vacuum Ultraviolet ◽  
Flash Photolysis ◽  
Electronic States ◽  
Rydberg Series ◽  
A Value ◽  
Vibrational Constants

The absorption spectrum of SH in the vacuum ultraviolet has been obtained by the flash photolysis of hydrogen sulfide. Transitions from the 2Π ground state to seven excited states have been observed and four of these fit reasonably well into a Rydberg series. From an extrapolation to the convergence limit of this series, a value of 10.40 ± 0.03 eV for the ionization potential of SH has been derived. Values for the rotational constants of these new electronic states have been determined; corresponding data for SD have also been obtained. The (1–0) transition of the system near 1 670 Å (B2Σ–X2Π) was observed, and, with the aid of isotope relations, vibrational constants of the B state have been derived. An estimate of the dissociation energy of SH in this excited state is D0′ = 24 190 ± 1 000 cm−1.

A meta-analysis and review examining a possible role for oxidative stress and singlet oxygen in diverse diseases

2017 ◽  
Vol 474 (16) ◽  
pp. 2713-2731 ◽  
Author(s):  
Athinoula L. Petrou ◽  
Athina Terzidaki
Keyword(s):  
Oxidative Stress ◽  
Excited State ◽  
Singlet Oxygen ◽  
Ground State ◽  
Meta Analysis ◽  
Common Mechanism ◽  
High Electron ◽  
A Value ◽  
First Excited State

From kinetic data (k, T) we calculated the thermodynamic parameters for various processes (nucleation, elongation, fibrillization, etc.) of proteinaceous diseases that are related to the β-amyloid protein (Alzheimer's), to tau protein (Alzheimer's, Pick's), to α-synuclein (Parkinson's), prion, amylin (type II diabetes), and to α-crystallin (cataract). Our calculations led to ΔG≠ values that vary in the range 92.8–127 kJ mol−1 at 310 K. A value of ∼10–30 kJ mol−1 is the activation energy for the diffusion of reactants, depending on the reaction and the medium. The energy needed for the excitation of O2 from the ground to the first excited state (1Δg, singlet oxygen) is equal to 92 kJ mol−1. So, the ΔG≠ is equal to the energy needed for the excitation of ground state oxygen to the singlet oxygen (1Δg first excited) state. The similarity of the ΔG≠ values is an indication that a common mechanism in the above disorders may be taking place. We attribute this common mechanism to the (same) role of the oxidative stress and specifically of singlet oxygen, (1Δg), to the above-mentioned processes: excitation of ground state oxygen to the singlet oxygen, 1Δg, state (92 kJ mol−1), and reaction of the empty π* orbital with high electron density regions of biomolecules (∼10–30 kJ mol−1 for their diffusion). The ΔG≠ for cases of heat-induced cell killing (cancer) lie also in the above range at 310 K. The present paper is a review and meta-analysis of literature data referring to neurodegenerative and other disorders.

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

LIFETIME MEASUREMENTS OF STATES IN O18 AND Ne22

1964 ◽  
Vol 42 (6) ◽  
pp. 1311-1323 ◽  
Author(s):  
M. A. Eswaran ◽  
C. Broude
Keyword(s):  
Excited State ◽  
Ground State ◽  
Doppler Shift ◽  
State Transition ◽  
Branching Ratios ◽  
Ground State Transition ◽  
Lifetime Measurements ◽  
Doppler Shift Attenuation ◽  
First Excited State ◽  
Doppler Shift Attenuation Method

Lifetime measurements have been made by the Doppler-shift attenuation method for the 1.98-, 3.63-, 3.92-, and 4.45-Mev states in O18 and the 1.28-, 3.34-, and 4.47-Mev states in Ne22, excited by the reactions Li7(C12, pγ)O18 and Li7(O16, pγ)Ne22. Branching ratios have also been measured. The results are tabulated.[Formula: see text]The decay of the 3.92-Mev state in O18 is 93.5% to the 1.98-Mev state and 6.5% to the ground state and of the 4.45-Mev state 74% to the 3.63-Mev state, 26% to the 1.98-Mev state, and less than 2% to the ground state. In Ne22, the ground-state transition from the 4.47-Mev state is less than 2% of the decay to the first excited state.

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