Polarized Raman spectrum of single crystal uridylyl (3′–5′) adenosine: Local Raman tensors of some functional groups

Polarized Raman scattering measurements have been made of a single crystal of uridylyl(3′–5′)adenosine (UpA) by the use of a Raman microscope with 488.0 nm excitation. The UpA crystal belongs to space group P2 1 (monoclinic), and Raman intensities I aa , I bb , and I c′c′ , have been determined for each Raman band. These intensities correspond to the aa , bb , and c′c′ components of the crystal Raman tensor, where c′ is defined as an axis perpendicular to the crystallographic a axis in the ac plane. From these experimental data, and by taking the known crystal structure into account, anisotropic and isotropic molecular Raman tensors have been calculated for the following 11 normal modes: ring stretching modes of the adenine residue (protonated) at 1560, 1516, 1330, and 715 cm −1 ; ring stretching modes of the uracil residue at 1696, 1657, 1615, 1228, and 790 cm −1 ; PO − 2 symmetric stretching mode at 1080 cm −1 ; P(—)O single bond stretching mode at 801 cm −1 . These pieces of information of the Raman tensors are considered to be useful for estimating the orientations of the DNA and RNA strands in a biological complex from a polarized Raman spectroscopic measurement of such a complex. © 1998 John Wiley & Sons, Inc. Biopoly 45: 135–147, 1998