LuF molecule: True potential energy curve and the dissociation energy

1984 ◽  
Vol 56 (1-4) ◽  
pp. 67-71 ◽  
Author(s):  
N. Rajamanickam ◽  
B. Narasimhamurthy
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Curve

Ground State Potential Energy Curve and Dissociation Energy of MgH†

2007 ◽  
Vol 111 (49) ◽  
pp. 12495-12505 ◽  
Author(s):  
Alireza Shayesteh ◽  
Robert D. E. Henderson ◽  
Robert J. Le Roy ◽  
Peter F. Bernath
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
State Potential

Absorption spectrum of the Mg2 molecule

1970 ◽  
Vol 48 (7) ◽  
pp. 901-914 ◽  
Author(s):  
W. J. Balfour ◽  
A. E. Douglas
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
High Resolution ◽  
Potential Energy ◽  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Vibrational Constants

The absorption spectrum of the Mg2 molecule, which occurs in a furnace containing Mg vapor, has been photographed with a high resolution spectrograph. The rotational structures of the bands have been analyzed and the rotational and vibrational constants of the two states determined. The bands are found to arise from a 1Σ–1Σ transition between a very lightly bonded ground state and a more stable excited state. The R.K.R. potential energy curve of the ground state, which has a dissociation energy of 399 cm−1, has been determined. The more important constants of the ground state are ωe = 51.12 cm−1, ωexe = 1.64 cm−1, re = 3.890 Å and those of the upper state are ωe = 190.61 cm−1, ωexe = 1.14 cm−1, re = 3.082 Å.

The B′2Σ+ → X2Σ+ systems of MgH and MgD

1976 ◽  
Vol 54 (18) ◽  
pp. 1898-1904 ◽  
Author(s):  
Walter J. Balfour ◽  
Hugh M. Cartwright
Keyword(s):  
High Resolution ◽  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Levels ◽  
Rotational Energy ◽  
Energy Curve ◽  
Molecular Constants ◽  
Vibrational Levels

The B′2Σ+ → X2Σ+ systems in MgH and MgD have been studied in emission at high resolution. Vibrational and rotational analyses, which have been performed for 37 bands of MgH and 16 bands of MgD, provide data on the following vibrational levels of the B′ state: MgH, ν = 0–9; MgD, ν = 0–2, 4–6. The following molecular constants (in cm−1) have been determined for the B′ state: MgH, Tc = 22 410, ωc = 828.4, ωcxc = 11.8, Bc = 2.585, Dc = 1.2 × 10−4; MgD, Tc = 22 415, ωc = 598.1, ωcxc = 6.4, Bc = 1.346, Dc = 2.6 × 10−5. The dissociation energy, Dc, in the B′ state is estimated to be 10 900 cm−1 (MgH), 11 200 cm−1 (MgD). The RKR potential energy curve for the B′ state has been calculated. A correlation of the rotational perturbations in the B′ → X system with the positions of rotational energy levels in the A2Π and B′2Σ+ states has been made. Observations for the low-lying states of MgH are compared with similar available data for related hydrides.

The B 1Πu potential energy curve and dissociation energy of 39K2

1988 ◽  
Vol 89 (1) ◽  
pp. 42-50 ◽  
Author(s):  
Johannes Heinze ◽  
Friedrich Engelke
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Curve

Dissociation energy for the ground state of AlO from true potential energy curve

1978 ◽  
Vol 19 (4) ◽  
pp. 455-459 ◽  
Author(s):  
N. Sreedhara Murthy ◽  
S.P. Bagare ◽  
B. Narasimha Murthy
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve

Ab initio calculation of accurate dissociation energy, potential energy curve and dipole moment function for the A 1 Σ + state 7 LiH molecule

2006 ◽  
Vol 15 (5) ◽  
pp. 1015-1021 ◽  
Author(s):  
Shi De-Heng ◽  
Liu Yu-Fang ◽  
Sun Jin-Feng ◽  
Yang Xiang-Dong ◽  
Zhu Zun-Lue
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Ab Initio ◽  
Dissociation Energy ◽  
Ab Initio Calculation ◽  
Potential Energy Curve ◽  
Moment Function ◽  
Energy Curve ◽  
Energy Potential

The potential energy curve of the proton and the dissociation energy of the OH− ion in Mg(OH)2

1976 ◽  
Vol 37 (1) ◽  
pp. 97-104 ◽  
Author(s):  
R. Martens ◽  
F. Freund
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Curve

Potential Energy Curve and Dissociation Energy for the SnCl Molecule

1993 ◽  
Vol 58 (7) ◽  
pp. 1485-1490 ◽  
Author(s):  
Narayanan Rajamanickam ◽  
Natarajan Ponraj ◽  
Ponpandian Durai Ezhilarasan ◽  
Veluchamy Arumugachamy ◽  
Manuel Fernandez Gomez ◽  
...  
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Empirical Potential ◽  
Best Fitting ◽  
Expansion Coefficients ◽  
Electronic Ground

The potential energy curve for the electronic ground state of the SnCl molecule has been constructed by the Rydberg-Klein-Rees method in the modification by Vanderslice and collaborators. Empirical potential functions, of five parameters by Hulburt and Hirschfelder, of three parameters by Lippincott and collaborators, and that by Szoke and Baitz using the electronegativity are examined for their adequacy to represent the true curve. The five parameters by Hulburt-Hirschfelder function, U(r) = De[(1 - e-x)2 + c x3 e-2x (1 + bx)], was found to be the best fitting function and it was used for the determination of the dissociation energy. The estimated value attained for dissociation energy is 346 ± 8 kJ mol-1. For this value of dissociation energy, the estimated values for parameters and expansion coefficients are c = 0.06864, b = -0.363738, a0 = 2.759 . 103 m-1, a1 = 2.876 and a2 = 4.013, a0, a1 and a2, being the Dunham's coefficients.

True potential energy curve and dissociation energy of BeO

1978 ◽  
Vol 11 (5) ◽  
pp. 825-829 ◽  
Author(s):  
N Sreedhara Murthy ◽  
U D Prahllad
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curve ◽  
Energy Curve
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