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Picosecond Time-Resolved Fourier-Transform Raman Spectroscopy and Normal-Mode Analysis of the Ground State and Singlet Excited State of Anthracene

Jas, Gouri S. and Wan, Chaozhi and Kuczera, Krzysztof and Johnson, Carey K. (1996) Picosecond Time-Resolved Fourier-Transform Raman Spectroscopy and Normal-Mode Analysis of the Ground State and Singlet Excited State of Anthracene. Journal of Physical Chemistry, 100 (29). pp. 11857-11862. ISSN 0022-3654 . https://resolver.caltech.edu/CaltechAUTHORS:20180720-143523735

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Abstract

Time-resolved Fourier-transform Raman spectra of the first singlet excited states of anthracene and deuterated anthracene have been measured with photoexcitation at 355 nm. Raman scattering was excited by 100-ps pulses at 1064 nm, resonant with the S_3 ← S_1 transition. Continuous wave (CW) Fourier-transform Raman spectra were also measured for anthracene and anthracene-d_(10) in the ground state. Ab initio calculations were carried out at the HF/6-31G and HF/6-31G* levels for the ground state and at the CIS/6-31G and CIS/6-31G* levels for the excited state to generate a complete normal-mode analysis of both ground and excited states. Excellent agreement between the computational and experimental Raman frequencies is observed for anthracene and anthracene-d_(10) for both the ground and excited states after the computed frequencies were scaled by a single scaling factor of 0.9. In several cases, comparison with calculated frequencies allows previously ambiguous vibrational assignments to be clarified. Evidence of interaction of the excited state with the solvent is observed for alkanes, but not alcohols, in an enhanced Raman intensity of solvent C−H stretching modes.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://dx.doi.org/10.1021/jp960607vDOIArticle
Additional Information:© 1996 American Chemical Society. Received: February 28, 1996; In Final Form: April 12, 1996. We thank Prof. Thomas Squier and Mr. Greg Hunter for the fluorescence lifetime measurements. This work was supported by NSF under EPSCoR Grant No. 9255223 and by University of Kansas General Research Allocation No. 3614. This work also received matching support from the State of Kansas EPSCoR program. The FT Raman instrumentation was funded by Grant CHE-9023773 from the NSF Chemical Instrumentation Program.
Funders:
Funding AgencyGrant Number
NSFESR-9255223
University of Kansas3614
State of KansasUNSPECIFIED
NSFCHE-9023773
Issue or Number:29
Record Number:CaltechAUTHORS:20180720-143523735
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20180720-143523735
Official Citation:Picosecond Time-Resolved Fourier-Transform Raman Spectroscopy and Normal-Mode Analysis of the Ground State and Singlet Excited State of Anthracene Gouri S. Jas, Chaozhi Wan, Krzysztof Kuczera, and Carey K. Johnson The Journal of Physical Chemistry 1996 100 (29), 11857-11862 DOI: 10.1021/jp960607v
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88084
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:23 Jul 2018 20:26
Last Modified:03 Oct 2019 20:02

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