Scribd Logo
Upload

Welcome to Scribd!

  • Tugas Struktur Molekul: 2 2 2 1/2 1/2 1/2 B C 2 1/2 A 1/2 C 3 A 1/2 B C

    Uploaded by

    Zulfa Nailul Ilmi
    16 views5 pages
    1) The document provides the molecular structure of an allil radical and its molecular orbital coefficients (c1, c2, c3) in the wave function (Ψ1, Ψ2, Ψ3). 2) It solves the secular determinant equations for the energy levels (E1, E2, E3) and derives that the coefficient c1 equals c3. 3) The value of the coefficient c is determined to be 1/√3, and this value is substituted back into the wave functions to obtain the final expressions for Ψ1, Ψ2, and Ψ3.

    Original Description:

    organik

    Original Title

    C-radikal

    Copyright

    © © All Rights Reserved

    Available Formats

    DOC, PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    Report this Document
    1) The document provides the molecular structure of an allil radical and its molecular orbital coefficients (c1, c2, c3) in the wave function (Ψ1, Ψ2, Ψ3). 2) It solves the secular determinant equations for the energy levels (E1, E2, E3) and derives that the coefficient c1 equals c3. 3) The value of the coefficient c is determined to be 1/√3, and this value is substituted back into the wave functions to obtain the final expressions for Ψ1, Ψ2, and Ψ3.

    Copyright:

    © All Rights Reserved
    Download as DOC, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    16 views5 pages

    Tugas Struktur Molekul: 2 2 2 1/2 1/2 1/2 B C 2 1/2 A 1/2 C 3 A 1/2 B C

    Uploaded by

    Zulfa Nailul Ilmi
    1) The document provides the molecular structure of an allil radical and its molecular orbital coefficients (c1, c2, c3) in the wave function (Ψ1, Ψ2, Ψ3). 2) It solves the secular determinant equations for the energy levels (E1, E2, E3) and derives that the coefficient c1 equals c3. 3) The value of the coefficient c is determined to be 1/√3, and this value is substituted back into the wave functions to obtain the final expressions for Ψ1, Ψ2, and Ψ3.

    Copyright:

    © All Rights Reserved
    Download as DOC, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 5

    Nama : Nursiah

    NIM

    : 131810301056

    Kelas : A
    Tugas Struktur Molekul
    Diketahui

    : Strukur radikal CH2-CH2=CH2


    E = + 21/2 , , - 21/2
    1 = A + (1/2)1/2 B + C
    2 = (1/2)1/2 A - (1/2)1/2 C
    3 = A - (1/2)1/2 B + C

    Ditanya

    : tentukan nilai c pada fungsi gelombang pada molekul radikal allil?

    Jawab

    =0

    =0

    =0

    det
    0 = x (x2 1) 1(x 0) + 0
    0 = x3 x x
    0 = x3 2x
    0 = x(x2 - x)

    =0

    x1 = 0 ; x2 =
    E1

    E2

    0=

    E3

    E1 = +

    E2 =

    E1 = -

    E1

    (HAA E1SAA) c1 + (HAB E1SAB) c2 + (HAC E1SAC) c3 = 0


    ( ( +
    -

    c1 ) = 0

    .. (1)

    ).0) c1 + ( - ( +

    c1 -

    c2 + c3 = 0

    (c1 +

    c2 + c3) = 0

    ).1) c2 + ( - ( +

    ).0) c3 = 0

    . (2)

    (HCA E1SCA) c1 + (HCB E1SCB) c2 + (HCC E1SCC) c3 = 0


    ( 0 ( +
    c2 (c2 -

    E2

    ).0) c3 = 0

    (HBA E1SBA) c1 + (HBB E1SBB) c2 + (HBC E1SBC) c3 = 0


    ( ( +

    ).0) c2 + (0 ( +

    c1 + c2 = 0

    (c2

    ).1) c1 + ( ( +

    ).0) c1 + ( - ( +

    ).0) c2 + ( - ( +

    c3 = 0
    c3) = 0

    .. (3)

    ).1) c3 = 0

    (HAA E2SAA) c1 + (HAB E2SAB) c2 + (HAC E2SAC) c3 = 0


    ( .1) c1 + ( .0) c2 + (0 .0) c3 = 0
    c2 = 0

    .. (4)

    (HBA E2SBA) c1 + (HBB E2SBB) c2 + (HBC E2SBC) c3 = 0


    ( .0) c1 + ( - .1) c2 + ( - .0) c3 = 0
    c1 + c3 = 0
    (c1 + c3) = 0

    . (5)

    (HCA E2SCA) c1 + (HCB E2SCB) c2 + (HCC E2SCC) c3 = 0


    ( 0 .0) c1 + ( - .0) c2 + ( - .1) c3 = 0
    c2 = 0

    .. (6)

    E3

    (HAA E3SAA) c1 + (HAB E3SAB) c2 + (HAC E3SAC) c3 = 0


    ( ( -

    ).1) c1 + ( ( -

    ).0) c2 + (0 ( -

    ).0) c3 = 0

    c1 + c2 = 0
    (c2 +

    .. (7)

    (HBA E3SBA) c1 + (HBB E3SBB) c2 + (HBC E3SBC) c3 = 0


    ( ( -

    c1) = 0

    ).0) c1 + ( - ( -

    c1 +

    c2 + c3 = 0

    (c1 +

    c2 + c3) = 0

    ).1) c2 + ( - ( -

    ).0) c3 = 0

    . (8)

    (HCA E3SCA) c1 + (HCB E3SCB) c2 + (HCC E3SCC) c3 = 0


    ( 0 ( -

    ).0) c1 + ( - ( -

    ).0) c2 + ( - ( -

    ).1) c3 = 0

    c2 +

    c3 = 0

    (c2 +

    c3) = 0

    .. (9)

    Subtitusi Persamaan 1 dan 3


    -

    c1 + c2 = 0

    c2 -

    c3 = 0

    c1 + c2 = c2 -

    c1= -

    c3

    c3

    c1 = c3
    Nilai C yang diperoleh:
    C=

    Subtitusi nilai C:
    1
    =c1 A + c2 B + c3 C
    c1 = , c2 =

    , c3 =

    1 = A + (1/2)1/2 B + C
    2
    =c1 A + c2 B + c3 C

    (1)

    (3)

    c1 = , c2 = 0 , c3 = 2 = (1/2)1/2 A - (1/2)1/2 C
    2
    =c1 A + c2 B + c3 C
    c1 = , c2 = -

    , c3 =

    3 = A - (1/2)1/2 B + C

    You might also like