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A dataset containing the wavelengths at a 0.25 nm interval and the corresponding attenuation coefficients.

Usage

phenylalanine.spct

Format

A solute_spct object with 1993 rows and 2 variables

Details

  • w.length (nm), range 222 to 720 nm.

  • K.mole (cm-1/M)

References

https://omlc.org/spectra/PhotochemCAD/html/073.html

H. Du, R. A. Fuh, J. Li, A. Corkan, J. S. Lindsey, "PhotochemCAD: A computer-aided design and research tool in photochemistry," Photochem. Photobiol., 68, 141-142, 1998.

J. M. Dixon, M. Taniguchi and J. S. Lindsey "PhotochemCAD 2. A refined program with accompanying spectral databases for photochemical calculations", Photochem. Photobiol., 81, 212-213, 2005.

Author

Du et ql. (original data); Scott Prahl (included data).

Examples

head(phenylalanine.spct)
#> Object: solute_spct [6 x 2]
#> Wavelength range 222-223.25 nm, step 0.25 nm 
#> Name: phenylalanine, Molar mass (Da): 165.19, Formula: C9H11NO2.
#> Variables:
#>  w.length: Wavelength [nm]
#>  K.mole: Molar attenuation coefficient [m2 mol-1] 
#> --
#> # A tibble: 6 × 2
#>   w.length K.mole
#>      <dbl>  <int>
#> 1     222     287
#> 2     222.    254
#> 3     222.    225
#> 4     223.    200
#> 5     223     177
#> 6     223.    157
summary(phenylalanine.spct)
#> Summary of solute_spct [1,993 x 2] object: phenylalanine.spct
#> Wavelength range 222-720 nm, step 0.25 nm
#> Name: phenylalanine, Molar mass (Da): 165.19, Formula: C9H11NO2.
#> Variables:
#>  w.length: Wavelength [nm]
#>  K.mole: Molar attenuation coefficient [m2 mol-1] 
#> --
#>     w.length         K.mole       
#>  Min.   :222.0   Min.   :  0.000  
#>  1st Qu.:346.5   1st Qu.:  0.000  
#>  Median :471.0   Median :  0.000  
#>  Mean   :471.0   Mean   :  9.626  
#>  3rd Qu.:595.5   3rd Qu.:  0.000  
#>  Max.   :720.0   Max.   :287.000  
solute_properties(phenylalanine.spct)
#> Name: phenylalanine, Molar mass (Da): 165.19, Formula: C9H11NO2.
cat(comment(phenylalanine.spct))
#> # Optical absorption spectrum of Phenylalanine in water
#> #
#> # Data from PhotochemCAD 2.1a has been munged on  2 June 2017 by Scott Prahl to make
#> # the information available to non-Windows users.  Although I have tried to be as careful
#> # as possible, I may have introduced some error; the cautious user is advised to compare
#> # these results with the original sources at www.photochemcad.com:
#> #
#> # H. Du, R. A. Fuh, J. Li, A. Corkan, J. S. Lindsey, "PhotochemCAD: A computer-aided design
#> #     and research tool in photochemistry," Photochem. Photobiol., 68, 141-142, 1998.
#> # J. M. Dixon, M. Taniguchi and J. S. Lindsey "PhotochemCAD 2. A refined program with accompanying
#> #     spectral databases for photochemical calculations", Photochem. Photobiol., 81, 212-213, 2005.
#> #
#> # The spectral absorption measurements were made by R.-C. A. Fuh in the summer of 1995 using a Cary 3.
#> # The absorption values were collected using a spectral bandwidth of 1.0 nm, a signal averaging time of 0.133 sec, a data interval of 0.25 nm, and a scan rate of 112.5 nm/min.
#> #
#> # These measurements were scaled to make the molar extinction coefficient match
#> # the value of 195 cm-1/M at 257.5 nm.  These values were
#> # then interpolated to report extinction coefficients at regular 1nm intervals
#> #
#> # The reported molar extinction coefficient is from
#> # Fasman, G. D., Editor (1976) Handbook of Biochemistry and Molecular Biology, 3rd Edition, Proteins, Volume I, pp. 183-203, CRC Press, Cleveland, Ohio.
#> #
#> ##Wavelength (nm)	Molar Extinction (cm-1/M)