๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Vibrational structure of electronic transitions in conjugated molecules

โœ Scribed by A. Warshel; M. Karplus


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
711 KB
Volume
17
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis


A general approach is presented for calculating the vibronic structure (Fran&-Condon factors) of electronic transitions in conjugated molecules. Applications to the lowest &owed ITIT* transition of ethylene, 1,3-cyclohexadiene, 1,3,5hesatriene, and F_ionone are given.


๐Ÿ“œ SIMILAR VOLUMES


Intensities of Transitions in Non-Totall
โœ W.L. Smith ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 125 KB

The effect of the noncorrespondence of normal coordinates on the Franck-Condon factors governing the appearance of non-totally symmetric vibrations in electronic spectra is examined. In a two-dimensional symmetry species containing vibrations 1 and 2, transitions such as 1 1 0 2 1 0 , 1 1 0 2 3 0 ,

Note on the role of vibrational modes in
โœ R. L. Gordon ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 512 KB

A simple application of a readily available quantum chemistry program (AMPAC) permits an illuminating presentation of the role of vibrational modes in electronic transitions. A direct comparison of modal surfaces for different electronic states of the same molecule can be made by using a perspective

Most favorable orientation for vibration
โœ Hyung Kyu Shin ๐Ÿ“‚ Article ๐Ÿ“… 1968 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 460 KB

Dependence of the probability of vibrational transitions on molecular rotations is investigated with a four-center interaction energy. A strongly angle-dependent expression of the vibrationa transition probability is obtained for asymmetric diatomic molecules. As an example, the HBr-HBr colDsion is

Structural Identification of Conjugated
โœ David Loffreda ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 337 KB ๐Ÿ‘ 1 views

Identification of molecular structures in nature remains a tremendous challenge. In heterogeneous catalysis, singlemolecule vibrational spectroscopy and microscopy have progressively led to a better understanding of surface chemistry at the atomic level. [1] Inelastic electron tunneling spectroscopy