𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Spectroscopic Intensity and Dipole Moment Study on Malononitriles

✍ Scribed by L. van Haverbeke; M. A. Herman

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
336 KB
Volume
84
Category
Article
ISSN
0037-9646

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The Infrared and Raman intensities of the 2250 cm^βˆ’1^ band in malononitrile and some of its derivatives has been determined.

The dipole moments of these compounds have been measured in benzene solutions. The results are compared mutually and are discussed in terms of the inductive and electron delocalisation effects of the substituents.

πŸ“œ SIMILAR VOLUMES

Dipole moment surfaces and spectroscopic
Dipole moment surfaces and spectroscopic calculations
✍ Brian T. Sutcliffe πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 223 KB

Modern nonempirical calculations of the rotation᎐vibration spectra of small molecules often use a dipole moment surface computed from a clamped nuclei electronic structure calculation to determine the transition intensities. In this article, an attempt is made to analyze what exactly is involved in

Effective Dipole Moment and Band Intensi
Effective Dipole Moment and Band Intensities of Nitrous Oxide
✍ O.M. Lyulin; V.I. Perevalov; J.-L. Teffo πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 334 KB

The effective Hamiltonian and effective dipole moment approach is applied to the band intensities problem for nitrous oxide. Using eigenfunctions of our reduced effective Hamiltonian (J. Mol. Spectrosc. 168, 390-403 (1992)), the experimental rotationless electric-dipole transition moments of R. A. T

Ab initio vibrational transition dipole
Ab initio vibrational transition dipole moments and intensities of formaldehyde
✍ Hsiuchin C. Hsieh; Walter C. Ermler πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 1021 KB

Vibrational transition dipole moments and absorption band intensities for the ground state of formaldehyde, including the deuterated isotopic forms, are calculated. The analysis is based on ab initio SCF and CI potential energy and dipole moment surfaces. The formalism derives from second-order pert