oe Mentor Course outine Assignment 3 How dows an NPTEL nw ‘Teun date or submiting ts asgnmant as pasted coursework? Due on 2021-02-10, 23:59 IST. wooo oe the wavefunction of a hemonuclear diatomic (e-axisis the internuclear axis) is given cs bby 3dezg — 3dary Here a and b refer tothe location of the two nucle. How would wen you cheracterize the corresponding molecular orbital? ba tna 19: Vio ih fe Wane n Chemie Bono: e oa - Ponce * The overlap integral between two hydrogen atom wavefunctions in Ha molecule is tent Ln Watt shown as a function ofthe intemuclear distance (R). identity the atomic orbitals. 2- ‘ou sangnmens ass the internuclear axis, Feit ert 3 s, ees R a. sands vec b. sand p, en © Pe and Dy 4. peand py ‘Assanment Souton © ve rtaractve Sesion No he awe a cork “Text Tans cee owes: a pate “The shown molecular orbital of H corresponds ta “hich of the following linear combination of atomic onbitals? 2 Ast tse be Asa tse © sat 250 4 254-250 ‘ om oer coc ‘eco oower: * hich of the following is an acceptable (not normalized) approximate wavefunction "pent fora state in He atom? a. [1s(1)1s(2) ~ 1s(4)1s(2)]@as b. [4s(1)1s(2)llayp, + Bra] ce. [1s(1)25(2) + 2s(1)1s(2)]eyet 4. [as(4)2s(2) + 2s) 1s@2)Nlaape — Bua] sce owes: 5. . pate Sis the spin operator ofa two electron system. Sats) = x}aya). What is the value of x(n aul? a0 bt e2 a3 oe powers cost ‘ecw rowers pate = 15(1)3d,2(2)ayay is not a well-behaved function for He atom because: 2. The wavefunction does not satisty indistinguishablity of electrons b. The wavefunction does not satisfy antisymmetry principle ‘6 The two electrons can nat have the same sin 4, The second electron can not be in 34 orbital Accated Answers pote \Whatis the electronic eneray of HoH?" when the internuclear distance is infinite? a Dau b tow « -05au ao “ ecw owners: \When you increase the bond angle of Hs0 (molecule is in xz plane, which of the "pent following happens to the molecular orbitals of water? 1. The energy of th orbital increases b. The energy of 2a: orbital increases The energy of 1b orbital increases 4. The eneray of 2a1 orbital does not change ° sce Row: ° inthe symmetry adapted linear combination forthe molecular orbital treatment of "Pe HS, which ofthe following atomie orbitals of § would NOT contribute to a1 molecular orbitals? b. 4 sce owes: 0 pate In the molecular orbital treatment of NH, what would be the size ofthe secular doterminant if you do not consider molecular symmetry? Consider only the valence orbitale xT and 33 2x2 Pee recep Annes: