ON THE SPECTRUM OF THE P2 MOLECULE

1940 ◽  
Vol 18a (8) ◽  
pp. 139-143 ◽  
Author(s):  
G. Herzberg ◽  
L. Herzberg ◽  
G. G. Milne
Keyword(s):  
Internuclear Distance ◽  
Ground State ◽  
Ultra Violet ◽  
Moment Of Inertia ◽  
Rotational Constants ◽  
Large Dispersion ◽  
The Moment

Five bands of the ultra-violet system of P2, with low v′ and v″ values, have been measured under large dispersion and analysed. They serve to determine much more accurately than heretofore possible the rotational constants Be″ and αe″, the moment of inertia Ie″, and the internuclear distance re″ of the P2 molecule in the ground state. The following values have been found: Be″ = 0.3031 cm.−1, αe″ = 0.00138 cm.−1, Ie″ = 92.36∙10−40gm.-cm.2, re″ = 1.895 10−8 cm.

BAND SPECTRUM AND STRUCTURE OF THE BCl MOLECULE

1941 ◽  
Vol 19a (11) ◽  
pp. 127-137 ◽  
Author(s):  
G. Herzberg ◽  
W. Hushley
Keyword(s):  
Fine Structure ◽  
Internuclear Distance ◽  
Ground State ◽  
Vibrational Structure ◽  
Sixth Order ◽  
Band Spectrum ◽  
Molecular Constants ◽  
Rotational Constants ◽  
New Formula

The 1Π−1Σ+ system of the BCl molecule has been photographed in the sixth order of a 20 ft. grating. The previous interpretation of the vibrational structure by Miescher (5) is slightly modified. The new formula for the Q heads of the B11Cl35 molecule is[Formula: see text]The fine structure of a number of bands has been measured and analysed, leading to the following accurate values for the rotational constants: B′e = 0.7054 cm.−1, α′e = 0.00820 cm.−1, B″e = 0.6838 cm.−1, α″e = 0.00646 cm.−1. The internuclear distance in the ground state is r″e = 1.716.10−8 cm. The molecular constants of BCl are compared with those of the iso-electronic molecules CS, PN, and SiO as well as with those of BBr, BCls, and BBr3.

Theoretical calculation of the low-lying electronic states of the LaH molecule

2014 ◽  
Vol 92 (9) ◽  
pp. 855-861 ◽  
Author(s):  
Salman Mahmoud ◽  
Mahmoud Korek
Keyword(s):  
Potential Energy ◽  
Internuclear Distance ◽  
Ground State ◽  
Electronic States ◽  
Electronic Energy ◽  
Centrifugal Distortion ◽  
Harmonic Frequency ◽  
Rotational Constants ◽  
Centrifugal Distortion Constants ◽  
First Time

The potential energy curves of the low-lying electronic states of the LaH molecule are reported via the CASSCF method with multireference calculations (single and double excitations with Davidson corrections). Twenty-four low-lying electronic states of the LaH molecule in the representation 2s+1Λ(+/−) below 20 000 cm−1 were investigated along with five lower electronic states in the Ω representation. The harmonic frequency ωe, the equilibrium internuclear distance Re, the rotational constants Be, and the electronic energy with respect to the ground state Te were calculated for these states. Twelve new electronic states are investigated in the present work for the first time that have not yet been observed experimentally. Using the canonical functions approach, the eigenvalues Ev, the rotational constants Bv, the centrifugal distortion constants Dv, and the abscissas of the turning points Rmin and Rmax were calculated for the investigated electronic states up to vibrational level v = 43.

scholarly journals Micro wave Spectra of Furazan I. The Doubly Determined Substitution Structure

1988 ◽  
Vol 43 (6) ◽  
pp. 597-606 ◽  
Author(s):  
Otto L. Stiefvater
Keyword(s):  
Computer Program ◽  
Double Resonance ◽  
Microwave Spectroscopy ◽  
Structure Calculation ◽  
Moment Of Inertia ◽  
Wave Spectra ◽  
Rotational Constants ◽  
Total Body ◽  
The Moment

Double Resonance Modulation (DRM) microwave spectroscopy has been used to determine the rotational constants of isotopic forms of normal (C2H2N2O2) and perdeuterated furazan (C2D2N2O). From these data the complete substitution structures have been derived by Kraitchman methods and by the computer program GEOM. The latter procedure fails to give correct results due to the decrease of the moment of inertia about the C2v -axis and the simultaneous interchange of inertial axes in the 18O-3,4-d2-form. The following bondlengths (in Å) and angles (in degrees) are best compatible with the total body of isotopic information: 0 - N = 1.3729 [6] ∢ NON = 111.15 [8] N -C = 1.3032 [13] ∢ ONC = 105.53 [5] C -C =1.4211 [9] ∢ NCC = 108.89 [3] C -H = 1.0763 [5] ∢ CCH = 130.16 [3] Here, the uncertainties cover small differences between normal and d2-furazan as well as discrepancies resulting from different schemes of structure calculation.

HIGH-RESOLUTION RAMAN SPECTROSCOPY OF GASES: XVIII. PURE ROTATIONAL SPECTRA OF CYCLOPROPANE AND CYCLOPROPANE-d6

1964 ◽  
Vol 42 (11) ◽  
pp. 2259-2263 ◽  
Author(s):  
W. Jeremy Jones ◽  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Raman Spectra ◽  
Internuclear Distance ◽  
Ground State ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Resolution Study

A high-resolution study of the rotational Raman spectra of cyclopropane and cyclopropane-d6 has yielded the values 0.66962 ± 0.00020 cm−1 and 0.46079 ± 0.00015 cm−1 for their ground-state rotational constants. From these values the C–C internuclear distance is determined to be 1.514 ± 0.002 Å.

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: XIV. ROTATIONAL SPECTRA OF C2H6, C2D6, C2H3D3 AND STRUCTURE OF THE ETHANE MOLECULE

1962 ◽  
Vol 40 (3) ◽  
pp. 358-366 ◽  
Author(s):  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Raman Spectra ◽  
Moment Of Inertia ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Isotopic Species ◽  
Ethane Molecule ◽  
The Moment

An analysis of the rotational Raman spectra of three isotopic species of ethane has given the following values for the rotational constants:[Formula: see text]From these values alone it is found that r0(C—C) = 1.5376 ± 0.003 Å, and when these are combined with, already available values of Ia (the moment of inertia about the symmetric top axis), the CH3 parameters are determined to be r0(C—H) = 1.106 ± 0.006 Å and [Formula: see text].

Perception of the moment of inertia of hand tools

1982 ◽  
Author(s):  
Carol Zahner ◽  
M. Stephen Kaminaka
Keyword(s):  
Moment Of Inertia ◽  
Hand Tools ◽  
The Moment

POLARON IN A QUANTUM DOT UNDER AN ELECTRIC FIELD

2007 ◽  
Vol 21 (24) ◽  
pp. 1635-1642
Author(s):  
MIAN LIU ◽  
WENDONG MA ◽  
ZIJUN LI
Keyword(s):  
Quantum Dot ◽  
Electric Field ◽  
Field Intensity ◽  
Ground State Energy ◽  
Ground State ◽  
Electric Field Intensity ◽  
State Energy ◽  
Theoretical Study ◽  
The Moment ◽  
Transformation Methods

We conducted a theoretical study on the properties of a polaron with electron-LO phonon strong-coupling in a cylindrical quantum dot under an electric field using linear combination operator and unitary transformation methods. The changing relations between the ground state energy of the polaron in the quantum dot and the electric field intensity, restricted intensity, and cylindrical height were derived. The numerical results show that the polar of the quantum dot is enlarged with increasing restricted intensity and decreasing cylindrical height, and with cylindrical height at 0 ~ 5 nm , the polar of the quantum dot is strongest. The ground state energy decreases with increasing electric field intensity, and at the moment of just adding electric field, quantum polarization is strongest.

Sign in / Sign up

Export Citation Format

Share Document