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

Tip‐Enhanced Raman Spectroscopic Studies of the Hydrogen Bonding between Adenine and Thymine Adsorbed on Au (111)

“…Thirdly, the 1240 cm À1 band in curve b is broadened and moves to a slightly lower wave number in curve c. This peak has been assigned to the in-plane NH 2 rock of the adenine molecule. [25] The change occurring to this peak indicates that the hydrogen bonding between the amino group and the thymine molecules weakened the NÀH bond in the amino group. Fourthly, the band position of the C=O stretch vibration of thymine at 1584 cm À1 in curve a increases to 1600 cm À1 in curve c. This shift likely arises from the desorption of thymine from the Au(111) surface upon hydrogen bonding with adenine.…”

“…All the bands are assigned to inplane vibrational modes, apart from the out-of-plane wag of C2ÀH at 980 cm À1 according to the literature. [25,26] The Figure 1. The TER spectra of a) thymine, b) adenine and c) adenine-thymine collected from Au (111) surfaces.…”

“…All the bands are assigned to inplane vibrational modes, apart from the out-of-plane wag of C2ÀH at 980 cm À1 according to the literature. [25,26] The 1323 cm À1 band and the 1405 cm À1 band are assigned to the skeletal stretching vibration. [26] The 1569 cm À1 and 1466 cm À1 bands are assigned to the in-plane ring stretching vibration.…”

Raman Under Water – Nonlinear and Nearfield Approaches for Electrochemical Surface Science

“…There is a general agreement that in acidic media and at low adenine concentrations, as the case for the EC‐TERS data presented here, protonated adenine is chemisorbed at positive potentials, while at lower potentials, protonated adenine physisorbs. However the specific geometrical arrangement of the adenine molecules with respect to the electrode surface has remained controversial As the Raman polarizability tensor of the ring breathing mode (732 cm −1 ) is highly anisotropic, a reorientation of the adenine rings could lead to the observed TER intensity changes. While the preliminary results shown here are very promising for future applications of EC‐TERS to the investigation of molecular behaviour at electrochemical interfaces, a more detailed interpretation of the EC‐TERS data at hand – but also in general – will require further experimental and particularly also simulation efforts to deconvolute the effects of the metal electrode, electrolyte, molecular interactions, surface charge and tip on the signal.…”

Raman Tensors and their application in structural studies of biological systems

“…The tensor components r 1 = α xx / α zz and r 2 = α yy / α zz are denoted by blue and red numerals, respectively. References to the original literature, where details of the tensor calculations are described, are as follows: (A) Ueda et al ; 9) (B) Benevides et al ; 16) (C) Tsuboi et al ; 3),47) (D1) Benevides et al ; 44) (D2) Thomas et al ; 10) (E1) Ushizawa et al ; 14) (E2) Benevides et al ; 44) (F1) Tsuboi et al ; 3) (F2) Tsuboi et al ; 3) (G1) Overman et al ; 25) (G2) Tsuboi et al ; 57) (G3) Yokote et al ; 41) (G4) Yokote et al ; 41) (H1)(H2)(H3) Tsuboi et al ; 8) (I1)(I2)(I3) Tsuboi et al ; 15) (J1) Thomas et al ; 10) (J2) Benevides et al ; 16) (K1)(K2) Benevides et al ; 44) (L1) Thomas et al ; 10) (L2)(L3) Tsuboi et al ; 12) (L4) Kumakura et al ; 49) (M1) Thomas et al ; 10) (M2) Benevides et al ; 44) (M3) Ushizawa et al ; 46) (N1) Ueda et al ; 51) (N2) Benevides et al ; 44) (N3) Ushizawa et al ; 55) (O1) Thomas et al ; 10) (O2)(O3)(O4) Benevides et al ; 16) (O5)(O6) Benevides et al 44) …”