First Observation of the BeXe+ Molecule: The A2Π–X2Σ Band System in Emission

1975 ◽  
Vol 53 (20) ◽  
pp. 2321-2325 ◽  
Author(s):  
J. A. Coxon ◽  
W. E. Jones ◽  
K. V. Subbaram
Keyword(s):  
Ground State ◽  
Microwave Discharge ◽  
Band System ◽  
Vibrational Analysis ◽  
Dipole Interaction ◽  
Binding Energies ◽  
Molecular Constants ◽  
Induced Dipole ◽  
Beryllium Chloride

Twenty-three new violet degraded bands in the region λ 4100–4700 Å have been observed in emission from a microwave discharge through beryllium chloride and flowing xenon at total pressures near 200 Torr. The band system is attributed to the A2Π–X2Σ+ transition of the new molecule BeXe+. Approximate molecular constants are reported from the vibrational analysis. The observation and assignment of this spectrum of BeXe+ confirm our recent results on the BeAr+ and BeKr+ molecules, for which it was proposed that the ion-induced dipole interaction was largely responsible for the ground state binding energies.

First Observation of the BeAr+ and BeKr+ Molecules: The A2Π–X2Σ+ Band Systems in Emission

1975 ◽  
Vol 53 (19) ◽  
pp. 2016-2022 ◽  
Author(s):  
K. V. Subbaram ◽  
J. A. Coxon ◽  
W. E. Jones
Keyword(s):  
Dipole Interaction ◽  
Binding Energies ◽  
Molecular Constants ◽  
Induced Dipole ◽  
Microwave Discharges

Two new emission systems of violet degraded bands near 4000 Å were recorded from microwave discharges through mixtures of beryllium halide vapors with flowing argon and krypton at pressures ~ 200 Torr. The spectra are assigned as the A2Π–X2Σ+ systems of the hitherto unknown BeAr+ and BeKr+ molecules. Molecular constants are reported, and the large binding energies are discussed in terms of a predominant ion-induced dipole interaction.

Vibrational Analysis of the 2800 Å Band System of para-Dibromobenzene

1972 ◽  
Vol 50 (12) ◽  
pp. 1402-1408 ◽  
Author(s):  
S. M. Japar
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Ground State ◽  
Band System ◽  
Vibrational Analysis ◽  
Type A ◽  
Strong Type ◽  
Type B ◽  
Sequence Structure ◽  
Extensive Sequence

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.

HYDROGEN STORAGE ON NANOFULLERENE CAGES

NANO ◽  
2009 ◽  
Vol 04 (05) ◽  
pp. 253-263 ◽  
Author(s):  
NATARAJAN SATHIYAMOORTHY VENKATARAMANAN ◽  
HIROSHI MIZUSEKI ◽  
YOSHIYUKI KAWAZOE
Keyword(s):  
Hydrogen Storage ◽  
Dipole Interaction ◽  
Binding Energies ◽  
Reversible System ◽  
Storage Medium ◽  
Transition Elements ◽  
Practical Applications ◽  
Alkali Earth ◽  
Induced Dipole ◽  
A Charge

In this paper, we discuss and compare various nanocage materials proposed theoretically as storage medium for hydrogen. Doping of transition elements leads to clustering which reduces the gravimetric density of hydrogen, while doping of alkali and alkali-earth metals on the nanocage materials, such as carborides, boronitride, and boron cages, were stabilized by the charger transfer from the dopant to the nanocage. Further, the alkali or alkali-earth elements exist with a charge, which are found to be responsible for the higher uptake of hydrogen, through a dipole–dipole and change-induced dipole interaction. The binding energies of hydrogen on these systems were found to be in the range of 0.1 eV to 0.2 eV, which are ideal for the practical applications in a reversible system.

BAND SPECTRUM AND STRUCTURE OF THE CH+ MOLECULE; IDENTIFICATION OF THREE INTERSTELLAR LINES

1942 ◽  
Vol 20a (6) ◽  
pp. 71-82 ◽  
Author(s):  
A. E. Douglas ◽  
G. Herzberg
Keyword(s):  
Ground State ◽  
Band System ◽  
Lower State ◽  
Band Spectrum ◽  
Interstellar Space ◽  
Molecular Constants ◽  
Vibrational Levels ◽  
State Formula ◽  
Heat Of Dissociation ◽  
Π State

In a discharge through helium, to which a small trace of benzene vapour is added, a new band system of the type 1Π – 1Σ is found which is shown to be due to the CH+ molecule. The R(0) lines of the 0–0, 1–0, and 2–0 bands of the new system agree exactly with the hitherto unidentified interstellar lines 4232.58, 3957.72, 3745.33 Å, thus proving that CH+ is present in interstellar space. At the same time this observation of the band system in absorption shows that the lower state 1Σ is the ground state of the CH+ molecule. The new bands are closely analogous to the 1II – 1Σ+ BH bands. The analysis of the bands leads to the following vibrational and rotational constants of CH+ in its ground state: [Formula: see text], Be″ = 14.1767, αe″ = 0.4898 cm.−1. The internuclear distance is re″ = 1.1310∙10−8 cm. (for further molecular constants see Table V). From the vibrational levels of the upper 1Π state the heat of dissociation of CH+ can be obtained within fairly narrow limits: D0(CH+) = 3.61 ± 0.22 e.v. From this value the ionization potential of CH is derived to be I(CH) = 11.13 ± 0.22 e.v. The bearing of this value on recent work on ionization and dissociation of polyatomic molecules by electron impacts is briefly discussed.

Spectrum of AsS. I. Analysis of the A′2Π3/2–X2Π3/2 Band System

1971 ◽  
Vol 49 (10) ◽  
pp. 1249-1254 ◽  
Author(s):  
Midori Shimauchi
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Ground State ◽  
Band System ◽  
Vibrational Analysis ◽  
Quartz Tube ◽  
Rotational Analysis ◽  
Vibrational Constants

The emission spectrum of the AsS radical, excited in a quartz tube by a 2450 MHz oscillator, was photographed on a high resolution spectrograph from 2450 to 6900 Å. Seven bands around 6000 Å showing clear rotational structures were chosen for the first rotational analysis of the AsS spectrum. The bands were found to arise from a 2Π3/2–2Π3/2 transition. The rotational and vibrational constants of the two states derived from the present work are consistent with the previous vibrational analysis of the A′2Π3/2–X2Π3/2 system. The constants of the upper doublet component of the ground state, X2Π3/2, are ωe = 562.40 cm−1, ωexe = 2.02 cm−1, re = 2.0216 Å; the constants of the A′2Π3/2 state are ΔG′(1/2) = 403.37 cm−1, ν0,0 = 18 621.21 cm−1, re = 2.2500 Å.

THE ELECTRONIC EMISSION SPECTRUM AND MOLECULAR CONSTANTS OF IODINE MONOFLUORIDE

1966 ◽  
Vol 44 (2) ◽  
pp. 337-352 ◽  
Author(s):  
R. A. Durie
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Dissociation Energy ◽  
Band System ◽  
Vibrational Analysis ◽  
Rotational Structure ◽  
Molecular Constants ◽  
Present Evidence ◽  
Halogen Compounds ◽  
Concave Grating

Observation by the author (Durie 1951) of a well-developed band system in the emission from an iodine–fluorine flame provided the first evidence for the existence of iodine monofluoride (IF), the last of the six possible diatomic inter-halogen compounds to be detected. The spectrum, which lies in the region 4 300 to 7 600 Å, has since been photographed under high resolution using a 21-ft concave grating spectrograph. The rotational structure of the bands is shown to be consistent with an A3Π0+ → X1Σ transition in the IF molecule. A rotational and vibrational analysis of the bands has been carried out and the molecular constants evaluated for IF. The results are as follows:[Formula: see text]The present evidence relating to the value of the dissociation energy of IF is discussed.

The blΣ+–X3Σ− band system of the PBr molecule

1979 ◽  
Vol 57 (7) ◽  
pp. 1051-1058 ◽  
Author(s):  
R. Colin
Keyword(s):  
High Resolution ◽  
Microwave Discharge ◽  
Band System ◽  
Rotational Analysis ◽  
Molecular Constants

Six bands of the b1Σ+–X3Σ− transition of the PBr molecule have been observed in a microwave discharge of PBr3 + He. High resolution spectra have allowed the rotational analysis of the 0–0 and 1–1 bands. The principal molecular constants obtained are:X3Σ−: P79Br; ωe = 458.35 cm−1, Be = 0.16067 cm−1; P81Br; ωe = 457.78 cm−1, Be = 0.15958 cm−1; re = 2.1714 Å.B1Σ+: P79Br; ωe = 485.47 cm−1, Be = 0.16509 cm−1; P81Br; ωe = 483.84 cm−1, Be = 0.16399 cm−1; re = 2.1421 Å and Te = 11779.75 cm−1.

The electronic spectrum of the CS+ molecular ion: rotational analysis and perturbation effects in the A2Πi–X2Σ+ transition

1978 ◽  
Vol 56 (5) ◽  
pp. 587-600 ◽  
Author(s):  
D. Gauyacq ◽  
M. Horani
Keyword(s):  
Carbon Disulfide ◽  
Ground State ◽  
Valence Electron ◽  
Band System ◽  
Local Perturbation ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Molecular Ion ◽  
Vibrational Levels ◽  
The Difference

A new emission spectrum in the red region (6000–8000 Å) has been recorded from a low pressure hot cathode discharge through carbon disulfide. This band system has been assigned to the A2Πi–X2Σ+ transition of the CS+ molecular ion on the basis of the rotational analysis and comparison with other nine valence-electron molecules. Molecular constants have been obtained by direct least squares fits of the line frequencies to the difference of the eigenvalues of standard 2Π and 2Σ+ matrices.A local perturbation in the A2Πi (ν = 5) state has been studied quantitatively. The position of the perturbing vibrational level in the X2Σ+ state has been determined within a few centimetre−1. This study gave a consistent set of molecular constants for the ground state of CS+ and allowed a partial deperturbation treatment of the observed vibrational levels of the excited A2Πi state.Numerous bands are also observed in the 4000 Å region. A discussion is given concerning the possible assignment of bands at 4059 and 4110 Å to the CS+B2Σ+–A2Πi (0,0) transition.

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).

High-resolution emission bands of the A2Π – X2Π system of SO+

1984 ◽  
Vol 62 (12) ◽  
pp. 1792-1800 ◽  
Author(s):  
J. L. Hardwick ◽  
Yin Luo ◽  
D. H. Winicur ◽  
J. A. Coxon
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Band System ◽  
Equilibrium Constants ◽  
Molecular Constants ◽  
Visible Band ◽  
Medium Resolution ◽  
Self Consistent ◽  
Measured Line ◽  
Line Positions

The A2Πi → X2Πr visible band system of SO+ has been recorded photographically at high resolution. Molecular constants for the A and X states have been fitted to the measured line positions of the 0–5, 0–6, 1–5, and 1–6 bands. Λ-type doubling was resolved completely for most of the lines of the 2Π1/2 – 2Π1/2 sub-bands, and has led to the first reported values of the splitting constants p′ and p″. All the estimated constants have been merged with constants obtained previously from medium-resolution spectra for other levels of the X2Π ground state. A self-consistent set of constants is reported for ν′ = 0 and 1 and for ν = 4–9, together with revised equilibrium constants.

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