First-principles quantum calculations on the infrared spectrum and vibrational dynamics of the guanine-cytosine base pair.
Vibrational resonance plays a vital role in manifesting a broad infrared band (>300 cm(-1)) and ultrafast vibrational energy relaxation (<100 femtoseconds) of the intermolecular NH stretching vibrations (see spectra).
Yagi
Kiyoshi
K
Department of Applied Chemistry, School of Engineering, University of Tokyo, 7-3-1 Bunkyo, Hongo, Tokyo, Japan. yagi@qcl.t.u-tokyo.ac.jp
Karasawa
Hideyuki
H
Hirata
So
S
Hirao
Kimihiko
K
D020029:Base Pairing; D003596:Cytosine / Q000737:chemistry*; D006147:Guanine / Q000737:chemistry*; D006860:Hydrogen Bonding; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D014732:Vibration
D006147:Guanine; D003596:Cytosine