The dipole correlation function of three esters of crotonic acid have been computed from the infrared absorption bands. Both short-time and long-time behaviour of the correlation functions are computed and discussed. The correlation times are also calculated. The short-time behaviour was compared with the correlation functions generated as an even-power series with second and fourth moments. They were also compared with the correlation functions of the freely rotating molecule. © 1984.

J. Gowrikrishna

Jandhyala Sobhanadri

IIT Madras is a public technical and research university located in Chennai, Tamil Nadu. Founded in 1959, it is recognised as an Institute of National Importance.

IIT Madras has been ranked as the top engineering institute in India for four years in a row by the National Institutional Ranking Framework of the MHRD

It currently offers undergraduate, postgraduate and research degrees across 16 disciplines in Engineering, Sciences, Humanities and Management. About 596 faculty belonging to science and engineering departments and centres of the Institute are engaged in teaching, research and industrial consultancy.

IIT Madras

Molecular dynamics of some crotonates using infrared band shapes

Chemical Physics Letters

Submillimeter absorption measurements are reported for four heterocyclic compounds, Pyridine and α-, β- and γ- picolines in the pure liquid state, in the region 15-450 cm-1 at room temperature. Three distinct bands are observed in the region 15-120 cm-1 and three more relatively strong bands are observed in the region 120-450 cm-1. Based on the earlier dielectric loss data and the present data, an attempt has been made to understand the various contributions to the observed bands. Measurements on the dilute solution of one of the compounds in the range 15-120 cm-1 are also reported in the present paper. Correlation function analysis is carried out to provide detailed information on the orientational motion of the molecules. © 1983.

Journal of Molecular Liquids

Molecular dynamics of some substituted pyridines part I

CRC Handbook of Chemistry and Physics

Physical Constants of Organic Compounds

Advances in Molecular Relaxation and Interaction Processes

Molecular dynamics of CH2Cl2: temperature dependences of the far infra-red spectrum. Part 1: experimental and simulation

Molecular motion of toluene and cyclohexane in benzene solutions

Chemical Physics

Band shapes and moment analysis of the far-infrared absorptions of dipolar molecules in solutions

Journal	Chemical Physics Letters
ISSN	00092614
Open Access	No