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Taiwan International Graduate Program (TIGP). Course: Molecular Spectroscopy. Professor: Wen-Bih Tzeng, Lab: 108, Office: 301 e-mail : wbt@po.iams.sinica.edu.tw website : http://www.iams.sinica.edu.tw/lab/wbtzeng /indexa.html.
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Taiwan International Graduate Program (TIGP) Course: Molecular Spectroscopy Professor: Wen-Bih Tzeng, Lab: 108, Office: 301 e-mail:wbt@po.iams.sinica.edu.tw website:http://www.iams.sinica.edu.tw/lab/wbtzeng/indexa.html 3 lectures on electronic spectroscopy of molecules in the gas phase Tuesday 9:10-12:00, 2013/2/19 - 2012/3/5 (Classroom: 311) Suggested books (NTU Chemistry Library): 1. Modern Spectroscopy, 4th ed. by J. Michael Hollas, John Wiley & Sons, 2004. 2. Molecular Spectra and Molecular Structure, G. Herzberg, D. van Nostrand Company, Inc., QC 451.H463v.1 1950. IAMS, Academia Sinica, Taiwan,台灣 中研院原分所
Resonant two-photon (R2PI) and mass-analyzed threshold ionization (MATI) processes ionization electronic excitation wbt 5
Preparation of C6H5NHD and C6H5ND2 (Mass 94) (Mass 93) (Mass 95)
Preparation of C6D5NHD and C6D5ND2 (Mass 99) (Mass 100) (Mass 98)
TOF spectra of deuterium substituted aniline isotopomers λ = 293.94 nm 93 ↔ C6H5NH2+ 94 ↔ C6H5NHD+ λ = 292.54 nm Relative Intensity 98 ↔ C6D5NH2+ 99 ↔ C6D5NHD+ λ = 292.48 nm 100 ↔ C6D5ND2+ Mass / amu
Vibronic spectra of deuterium substituted aniline isotopomers (a) C6H5NH2 (b) C6H5NHD Relative Intensity (b) C6H5ND2 One photon energy / cm-1
Vibronic spectra of deuterium substituted aniline isotopomers (a) C6D5NH2 (b) C6D5NHD Relative Intensity (c) C6D5ND2 Relative Wavenumber / cm-1
MATI spectra ofdeuterium substituted aniline isotopomers (a) C6H5NH2 via S100 34029 cm-1 (b) C6H5NHD via S100 Relative Intensity 34031 cm-1 (c) C6H5ND2 via S100 34038 cm-1 Ion Internal Energy / cm-1
MATI spectra ofdeuterium substituted aniline isotopomers (a) C6D5NH2 via S100 34193 cm-1 (b) C6D5NHD via S100 Relative Intensity 34195 cm-1 (c) C6D5ND2 via S100 34202 cm-1 Ion Internal Energy / cm-1
Vibronic spectra of m-, o-, p-fluoroaniline by 1C-R2PI
Vibronic spectra of m-, o-, p-fluoroaniline by 1C-R2PI
MATI spectra of m-, o-, p-fluoroaniline m-fluoroaniline NIST: 8.32 -8.33 eV MATI: 7.9543 ± 0.0006 eV o-fluoroaniline NIST: 8.2 -8.5 eV MATI: 7.8909 ± 0.0006 eV p-fluoroaniline NIST: 7.9 -8.2 eV MATI: 7.7543 ± 0.0006 eV
Vibronic spectra of m-, o-, p-fluoroanisole m-fluoroanisole has cis and trans rotamers.
MATI spectra of m-, o-, p-fluoroanisole trans-m-fluoroanisole NIST: 8.4 - 8.7 eV MATI: 8.4686 ± 0.0006 eV cis-m-fluoroanisole NIST: 8.4 - 8.7 eV MATI: 8.4144 ± 0.0006 eV o-fluoroanisole NIST: - MATI: 8.3508 ± 0.0006 eV p-fluoroanisole NIST: 8.3 - 8.6 eV MATI: 8.2371 ± 0.0006 eV
IR and REMPI spectra of guanine Ref: (a) IR: Delabar et al., Spectrochim Acta 34A, 129 (1978). (b) REMPI: de Vries and coworkers, JACS 121, 4896 (1999).
Possible structures of guanine (c) (b) (a) Ref: de Vries and coworkers, JCP 115, 4606 (2001).
REMPI spectrum of guanine Ref: SC Yang, JL Lin, Lab 108, IAMS
REMPI spectrum of guanine MP2/6-311G(d,p): a=7H-Keto, 1 kJ/mol b=9H-Keto, 4 kJ/mol c=9H-Enol, 0 kJ/mol Ref: SC Yang, JL Lin, Lab 108, IAMS
REMPI spectrum of guanine MP2/6-311G(d,p): a=7H-Keto, 1 kJ/mol b=9H-Keto, 4 kJ/mol c=9H-Enol, 0 kJ/mol Ref: SC Yang, JL Lin, Lab 108, IAMS