Erratum: Calculation of vibronic magnetic rotational strengths in formaldehyde

The magnetic rotational strengths (MRS) associated with the non‐totally‐symmetric vibrations in formaldehyde are calculated with CNDO/2 wave functions. The effects of configuration interaction are examined. We have also identified a single term that dominates the MRS. This raises the possibility of an economy of thought in attempts at correlating MRS data with molecular structure in the case of magnetic dipole allowed transitions.

[1]  J. Linderberg,et al.  Magneto-optical activity: Gauge-invariant calculations in the random-phase approximation , 1972 .

[2]  C. Djerassi,et al.  Magnetic circular dichroism studies. XVIII. Structure and the magnetic circular dichroism of saturated ketones , 1972 .

[3]  H. Eyring,et al.  Magnetic circular dichroism of molecules in dense media. I. Theory , 1972 .

[4]  A. Moscowitz,et al.  Theorem Useful for Interpretation of Magnetic Circular Dichroism Spectra , 1972 .

[5]  E. C. Ong,et al.  Low‐Resolution Analysis of Vibrational—Electronic Circular Dichroism Spectra , 1971 .

[6]  G. Segal,et al.  Vibrational Intensities in F2CO: Some Corrections , 1971 .

[7]  H. Eyring,et al.  theory of optical activity , 1971 .

[8]  G. Segal,et al.  Calculation of the Vibrational Intensities of F2CO , 1969 .

[9]  V. Sethuraman,et al.  The 3500 Å1A2 - X̃1A1 transition of formaldehyde-h2, d2, and hd: Vibrational and rotational analyses☆ , 1969 .

[10]  C. Djerassi,et al.  Magnetic circular dichroism studies. Part 10.—Investigations of some carbonyl compounds , 1969 .

[11]  H. Jaffe,et al.  Use of the CNDO Method in Spectroscopy. III. Monosubstituted Benzenes and Pyridines , 1968 .

[12]  J. Pople,et al.  Approximate Self‐Consistent Molecular‐Orbital Theory. V. Intermediate Neglect of Differential Overlap , 1967 .

[13]  Y. Pao,et al.  A Molecular Orbital Theory of Optical Rotatory Strengths of Molecules , 1966 .

[14]  P. Stephens,et al.  Magneto-optical rotatory dispersion of porphyrins and phthalocyanines. , 1966, The Journal of chemical physics.

[15]  J. Pople,et al.  Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures , 1965 .

[16]  H. F. Hameka,et al.  On the Effect of the Ground‐State Dipole Moment on Optical Transition Probability , 1965 .

[17]  J. Pople,et al.  Molecular‐Orbital Theory of Diamagnetism. I. An Approximate LCAO Scheme , 1962 .

[18]  W. Moffitt,et al.  Optical Activity in Absorbing Media , 1959 .

[19]  A. D. Liehr ERRATA AND SOME ADDITIONAL COMMENTS ON CRITICAL STUDY OF VIBRONIC INTERACTION CALCULATIONS , 1958 .

[20]  J. Pople,et al.  Intensity of the Symmetry‐Forbidden Electronic Absorption Band of Formaldehyde , 1957 .

[21]  J. Pople,et al.  The Intensities of the Symmetry-forbidden Electronic Bands of Benzene , 1956 .

[22]  D. F. Eggers,et al.  Infrared Intensities and Bond Moments in Formaldehyde , 1955 .

[23]  Edward Teller,et al.  Electronic Spectra of Polyatomic Molecules , 1941 .