QUANTUM MECHANICAL MODEL OF ATOM *In short the wave equation may be written as: HW=EW Operator eigenvalue (Energy operator) * The wave function w is a solution of the Schrodinger equation and describes the behavior of an electron in a region of space called the atomic orbital. + We can find energy values that are associated with particular wave functions.QUANTUM MECHANICAL MODEL OF ATOM *The solutions of wave equation gives the possible energy levels the electron can occupy. *The quantized energy states and corresponding wave functions are characterized by three quantum numbers: 1) Principle quantum number (n) . e e 2) Azimuthal quantum number (/) A . @ 3) Magnetic quantum number ( m) ©ference Between Orbit and Orbital Orbit Orbits represent the planner motion of the electron. They are Circular in shape. It is a well-defined path that revolving electrons follow around a nucleus. The orbits theory doesn't satisfy the Heisenberg uncertainty principle. Can accommodate 2n2electron in the shells where n is the number of orbits. the planner motion of electron can be designated by L, M, N, etc. Orbital Orbitals represent the three- dimensional motion of the electron around the nucleus. They are Different in shapes from each other. It is simply a region of space around a nucleus where the electron is present. Orbitals Concept completely complies with the Heisenberg uncertainty principle. Only two electrons can be present in an orbital. The 3D motion of electron by s, p, d, f orbitals.ORBITAL AND QUANTUM NUMBERS * Principle Quantum number (n ) : This quantum number determines the size and energy of the orbital. It also identifies the shell. With the increase in the value of “n” the number of allowed orbitals increases. Size of an orbital also increases with increase of “n”. The number of orbitals =n? — ,where n= 1,2,3,4,.........005 (non zero integer) “n value” and shell designation: Value of n 1 2 3 4 | Shell K L M N \\ ES designation \ORBITAL AND QUANTUM NUMBERS * Azimuthal Quantum Number (/) : This quantum number defines the three dimensional shape of the orbital. For a given value of n, / can have values ranging from 0 to n-1. so possible values of / = 0,1,2,3, This quantum number thus tells us about the no. of subshells or sub levels in a given shell. Value of | 0 1 2 3 4 5 I Notatio s Pp d f g h nfor sub-she uORBITAL AND QU Value of] Value of] Subshell No. of n fl Notation | subshells in a Shell 1 0 1s, ‘One 2 0 2s Two 1 2p 3 0 3s Three 1 3p 2 3d 4 0 4s four 1 4p 2 4d 3 4f ANTUM NUMBERS @ 3 #K «py 2 = principal I= angular MmM-= magnetic entation electron shape coforbiat “in spat sen dotanc from nucleus (ORBITAL AND QUANTUM NUMBERS * Magnetic Orbital Quantum Number (m,): It describes the behavior of electron in a magnetic field. Under the applied magnetic field, electrons in a given subshell orient themselves in certain preferred regions of space around the nucleus. These are called orbitals. For any sub-shell, 2/+1 values of m, are possible. so for a given value of /, m, can have values ranging from —/ to +I.ORBITAL AND QUANTUM NUMBERS Orbital Number of Orbitals Number of ” m, Notation — in Subshell Orbitals in Shell 1 ° 1 a ' 4 141 ° ~1,0, +1 9 o 1,0, +1 —2,-1,0, +1, +2 -3,-2,-1 » wen iole = elm ofo|a Mueeunweween 0, +1, +2, +3 Is 2s 2p 3s 3p ~2-1,0, +1, +2 ad as 4p 4d fORBITAL AND QUANTUM NUMBERS Electron Spin or Spin Quantum number (m,) : This quantum number describes the spin orientation of the electron. Since electron can spin in two ways- clockwise and anti-clockwise, so this 1 1 quantum number can take two values: = and S a 1 + m,=+> and = | 2 2 Spin angular momentum = Vs(s + 1) =Summary: Quantum numbers Ho Qn HY > auientation, m, > election spin +7/2 and -1]2 D> spinIMPORTANT POINTS * No. of subshells in nth shell =n *No. of orbitals in a subshell = 2/ + 1 * No. of electrons in a subshell = 2 (2/+ 1) =4/+2SHAPES OF ATOMIC ORBITALS * Shape of atomic orbital is obtained from the variation of wave function @ as a function of distance (r) from the nucleus. * Shapes of orbitals may be represented in terms of boundary surfaces. * These boundary surface diagrams give the most probable regions.SHAPES OF ATOMIC ORBITALS e a P-OrbitalSHAPES OF D-ORBITALS se & + oNODES IN ATOMIC ORBITALS * Nodes are the positions where the probability of finding the electron is zero. * Total no. of nodes = n-1 *Angularnodes = / 0 * Radial nodes =n-l-1 ® » © © © Cross-sections through the (a) 1s (no radial nodes), (b) 2s (one radial node), (c) 3s (two radial nodes), (d) 2p (no radial nodes) and (e) 3p(one radial node) atomic orbital of hydrogen.ELECTRONIC CONFIGURATION * The distribution of electrons in different orbitals is known as electronic configuration Aufbau Principle: “In the ground state of the atoms, the orbitals are filled in order of their increasing energies”. The orbital energy is defined by a rule known as Bohr-Bury Rule or (n+/) rule. * Rule 4: An orbital with a lower value for (n + /) has lower energy. * For example, * The 4s orbital (n + | = 4+0 = 4) will be filled before a 3d orbital (n + I= 3 + 2=5). * Rule 2: If the value of (n + /) is same for two orbitals then the orbital with lower value of n will be filled first. + For example, the 3d orbital (n + | = 3+2=5) will be filled before a 4p orbital (n += 4 + 1 =5).ELECTRONIC CONFIGURATION * The energies of different orbitals thus follows the order 1s<2s<2p<3s<3p<4s<3d<4p. * In other words “an orbital can accommodate maximum of two electrons and these must have opposite spins”. ereemes mh nei 1=0 m=0HUND’S RULE OF MAXIMUM MULTIPLICITY * According to this Rule, "Electron pairing will not take place in orbitals of same energy (same subshell) until each orbital is singly filled”. * For example: The six electrons in Carbon atom are distributed as 1s’2s’2p,12p,* not as 1s’2s*2p, as shown in figure below. i ff Hitt} = of 4s 2s 2p 1s 2s correct incorrectELECTRONIC CONFIGURATION OF ELEMENTS The First 10 elements: goo Orbital Diagrams and E219 Electron Configurations C = 15225? 2p2 J+ N= 1522s? 2p?_ PEEEE =a.Exceptional configuration of Chromium and Copper * Chromium (atomic no. 24) : expected configuration = 1s?2s?2p°3s?3p°4s3d* actual configuration = 1s?2s*2p°3s*3p°4s'3d° * Copper (atomic no. 29) : expected configuration = 1s?2s?2p°3s?3p°4s?3d° actual configuration = 1s?2s?2p°3s?3p°4s!3d1°STABILITY OF COMPLETELY FILLED AND HALF FILLED SUBSHELLS * Symmetry of Orbital “ee * Exchange energy