Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules
نویسندگان
چکیده
منابع مشابه
Dipole moments of highly vibrationally excited water.
The intensity of water absorption in the region of the solar spectrum plays a dominant role in atmospheric energy balance and hence strongly influences climate. Significant controversy exists over how to model this absorption accurately. We report dipole moment measurements of highly vibrationally excited water, which provide stringent tests of intensities determined by other means. Our measure...
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Two sterically hindered derivatives of dimethylaminobenzonitrile (DMCA) have been synthesized and the dipole moment of their fluorescent excited state has been determined in differently polar solvents. Its value increases with solvent polarity up to a limiting value of (50 + 2.5) • 10" 0 Cm. The results are discussed with reference to the twisted intramolecular charge transfer (TICT) state form...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2020
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.0c01111