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Near- and Deep-Ultraviolet Resonance Raman Spectroscopy of Pyrazine-Al-4 Complex and Al-3-Pyrazine-Al-3 Junction

Sun, Mengtao; Zhang, Shunping; Fang, Yurui; Yang, Zhilin; Wu, Deyin; Dong, Bin and Xu, Hongxing LU (2009) In Journal of Physical Chemistry C 113(44). p.19328-19334
Abstract
Near- and deep-ultraviolet (UV) resonance Raman spectroscopy of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction was investigated theoretically with a quantum chemical method. Here, 325 and 244 nm were employed as near- and deep-UV sources in our theoretical study The intensities of static normal Raman spectra of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction were enhanced oil the orders of 10 and 10(3) by a static chemical mechanism, respectively The calculated absorption spectra reveal strong B-6(2) and B-13(2u) electronic transitions near 325 nm for pyrazine-Al-4 complex and 244 nm for Al-3-pyrazine-Al-3 junction, respectively. The analyses of orbital transitions in electronic transitions reveal they are the mixture of... (More)
Near- and deep-ultraviolet (UV) resonance Raman spectroscopy of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction was investigated theoretically with a quantum chemical method. Here, 325 and 244 nm were employed as near- and deep-UV sources in our theoretical study The intensities of static normal Raman spectra of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction were enhanced oil the orders of 10 and 10(3) by a static chemical mechanism, respectively The calculated absorption spectra reveal strong B-6(2) and B-13(2u) electronic transitions near 325 nm for pyrazine-Al-4 complex and 244 nm for Al-3-pyrazine-Al-3 junction, respectively. The analyses of orbital transitions in electronic transitions reveal they are the mixture of (metal to molecule) charge transfer excitation and intracluster excitation. The intensity of near-UV resonance Raman spectroscopy of pyrazine-Al-4 complex and the intensity of deep-UV resonance Raman spectroscopy of Al-3-pyrazine-Al-3 junction are strongly enhanced on the order of 10(5) and 10(4), respectively, compared to the Raman intensity of isolated pyrazine excited at 325 and 244 nm. The calculations of Mic theory and the three-dimensional finite-difference time domain method reveal strong surface plasmon resonance and strong electromagnetic enhancements at 325 and 244 nm for single and dimer nanoparticles at suitable sizes and gap distance, respectively. The strongest SERS enhancement in the system of junction is on the order of 10(8) at the incident lights of 325 and 244 nm. The total enhancements, including the chemical and electromagnetic enhancements, can reach Lip to 10(13). So, Al is a suitable material for near- and deep-UV surface-enhanced resonance Raman scattering (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
113
issue
44
pages
19328 - 19334
publisher
The American Chemical Society
external identifiers
  • wos:000271105500051
  • scopus:70449558796
ISSN
1932-7447
DOI
10.1021/jp908107u
language
English
LU publication?
yes
id
bbad7736-a82c-4fa1-8bfe-9b534cbbfb3a (old id 1505379)
date added to LUP
2009-11-24 12:49:16
date last changed
2017-07-23 03:52:08
@article{bbad7736-a82c-4fa1-8bfe-9b534cbbfb3a,
  abstract     = {Near- and deep-ultraviolet (UV) resonance Raman spectroscopy of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction was investigated theoretically with a quantum chemical method. Here, 325 and 244 nm were employed as near- and deep-UV sources in our theoretical study The intensities of static normal Raman spectra of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction were enhanced oil the orders of 10 and 10(3) by a static chemical mechanism, respectively The calculated absorption spectra reveal strong B-6(2) and B-13(2u) electronic transitions near 325 nm for pyrazine-Al-4 complex and 244 nm for Al-3-pyrazine-Al-3 junction, respectively. The analyses of orbital transitions in electronic transitions reveal they are the mixture of (metal to molecule) charge transfer excitation and intracluster excitation. The intensity of near-UV resonance Raman spectroscopy of pyrazine-Al-4 complex and the intensity of deep-UV resonance Raman spectroscopy of Al-3-pyrazine-Al-3 junction are strongly enhanced on the order of 10(5) and 10(4), respectively, compared to the Raman intensity of isolated pyrazine excited at 325 and 244 nm. The calculations of Mic theory and the three-dimensional finite-difference time domain method reveal strong surface plasmon resonance and strong electromagnetic enhancements at 325 and 244 nm for single and dimer nanoparticles at suitable sizes and gap distance, respectively. The strongest SERS enhancement in the system of junction is on the order of 10(8) at the incident lights of 325 and 244 nm. The total enhancements, including the chemical and electromagnetic enhancements, can reach Lip to 10(13). So, Al is a suitable material for near- and deep-UV surface-enhanced resonance Raman scattering},
  author       = {Sun, Mengtao and Zhang, Shunping and Fang, Yurui and Yang, Zhilin and Wu, Deyin and Dong, Bin and Xu, Hongxing},
  issn         = {1932-7447},
  language     = {eng},
  number       = {44},
  pages        = {19328--19334},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Near- and Deep-Ultraviolet Resonance Raman Spectroscopy of Pyrazine-Al-4 Complex and Al-3-Pyrazine-Al-3 Junction},
  url          = {http://dx.doi.org/10.1021/jp908107u},
  volume       = {113},
  year         = {2009},
}