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Predicting the Hybridization of Heterocyclic Compounds

  • Page ID
    35874
  • The state of s-p hybridization of hetero atoms in heterocyclic compounds have been empirically calculated1 from the number of bonds and delocalized ion pair of electrons associated with it in the following way:

    \[X  =  TNBS  +   DLP \tag{1}\]

    where

    • \(X\) is the total power on Hybridization State,
    • \(TNBS\) is the total Number of bonds directly attached with hetero atom excluding H bond if any attached with hetero atom, and
    • \(DLP\) is the delocalized ion pair electrons through resonance
    • For sp ;  Power on s = 1 and Power on p = 1, Hence Total power = (1+1) = 2
    • For sp2 ; Power on s =1 and Power on p = 2,  Hence Total power =3 = (1+2) = 3
    • For sp3 ; Power on s = 1 and  Power on p = 3,Hence Total  power = (1+3) = 4

    Examples have been illustrated in Table 1

    Table in JPEG.jpg

    References

    1. 1.' Time Economic Innovative Methodology on the Prediction of Hybridization State of Heterocyclic Compounds' Arijit Das, Bijaya Paul, R.Sanjeev and V.Jagannadham, IOSR Journal of Applied Chemistry (IOSR-JAC) e-ISSN: 2278- 5736.Volume 7, Issue 8 (2), (Aug-2014), PP 38-39, DOI: 10.9790/5736-07412429
    2. https://communities.acs.org/docs/DOC-50092 
    3. http://www.drarijitdaschem.in/IOSR%20JAC-2014.pdf

    Contributor

    • Dr. Arijit Das, Ph.D. (Inorganic Chemistry), MACS ( Invited,USA ), SFICS, MISC, MIAFS (India), Assistant Professor, Department of Chemistry, Ramthakur College, Agartala, Tripura(W), Tripura, India, Pin-799003.