Helical polymer circular dichroism: Transition matrix theory for polypeptides

Journal Article · Thu Jan 15 04:00:00 EST 1981 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.441149· OSTI ID:6680218

Rabenold, D A

A Green operator technique used within a linear response framework is employed to present a transition matrix theory of long helical polymer circular dichroism. Specializing to a polypeptide, simple closed form expressions are obtained for the circular dichroism. The formulation clearly shows (1) how the PiPi* exciton system gives rise to the ''helix band'' and ''radial bands''; (2) how the coupling of the PiPi* and nPi* transition densities gives rise to a band centered at the unperturbed nPi* transition frequency which is balanced in rotational strength by bands at the PiPi* perpendicular and parallel polarized transition frequencies; and (3) how interaction of these low energy transitions with high energy transitions can alter all of the above mentioned bands.

• Research Organization: Institute of Molecular Biophysics, The Florida State University, Tallahassee, Florida 32306
• OSTI ID: 6680218
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 74:2; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION SPECTRA
BOUNDARY CONDITIONS
CONFIGURATION
DICHROISM
ENERGY-LEVEL TRANSITIONS
HELICAL CONFIGURATION
OPTICAL PROPERTIES
ORGANIC COMPOUNDS
PEPTIDES
PHYSICAL PROPERTIES
POLYMERS
POLYPEPTIDES
PROTEINS
SPECTRA