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Density functional theory and resonance Raman investigation of the ultraviolet electronic excited states of CF2I2

โœ Scribed by Xuming Zheng; David Lee Phillips


Book ID
108313155
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
324 KB
Volume
316
Category
Article
ISSN
0009-2614

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We present transient-resonance Raman spectra for the 4-biphenylylnitrenium, diphenylnitrenium, and 2-fluorenylnitrenium ions. These spectra display a number of fundamental vibrational bands whose frequencies exhibit good agreement with those computed using BPW91/cc-PVDZ density functional theory cal