Research Article
Spectroscopic Studies of Distorted Structure Systems in the Vibron Model: Application to Porphyrin and Its Isotopomers
Table 1
Comparison between the observed and calculated frequencies of the fundamental stretching vibrations.
| | Ni (OEP)-15N | Ni (OEP)-meso-d4 | Ni (OEP)-methylene-d16 | Sym | | | | | | | | | |
| Cm–H vibrational mode | (ν 1) | 3041 | 3041.93 | −0.93 | 2263 | 2258.49 | 4.51 | 3044 | 3042.03 | 1.97 | (ν 27) | 3041 | 3040.89 | +0.11 | 2261 | 2265.38 | −4.38 | 3041 | 3040.20 | 0.80 | (ν 36) | 3041 | 3040.01 | 0.99 | 2262 | 2262.30 | −0.30 | 3041 | 3040.92 | 0.18 | Cb–Cb vibrational mode | (ν 2) | 1604 | 1604.04 | −0.04 | 1598 | 1597.05 | 0.05 | 1597 | 1597.35 | −0.35 | (ν 11) | 1578 | 1577.96 | −0.04 | 1578 | 1580.50 | −2.50 | 1567 | 1568.89 | −1.89 | (ν 38) | 1588 | 1590.00 | −2.00 | 1586 | 1587.97 | −1.97 | 1579 | 1579.05 | −0.05 |
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(a)Observed values taken from [27–29].
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