Physical Chemistry Chapter VI Interaction between Molecules,2 (3)Dispersion interaction Transient dipole interactions 1930----London E4=-[12(1+l2)aa2/(4xen)2R”] 2021821 Chemistry Departme nt of Fudan University
Physical ChemistryI Chapter VI Interaction between Molecules 2021/8/21 Chemistry Department of Fudan University 6 (3) Dispersion interaction Transient dipole interactions 1930----London 2 6 d 1 2 1 2 1 2 0 3 [ /( )][ / 4 ] 2 E I I I I R = − + a a （ ）
●a Chapter VI Interaction between Molecules,2 (4)Total Energy of intermolecular interactions up 30,al e=E+e+e p (4)2R‖3k7 +a1h2+h+2(1+I2 2021821 Chemistry Departme nt of Fudan University
Physical ChemistryI Chapter VI Interaction between Molecules 2021/8/21 Chemistry Department of Fudan University 7 (4) Total Energy of intermolecular interactions 2 2 1 2 1 2 1 2 2 2 e p d 1 2 1 2 6 0 1 2 1 2 3 (4 ) 3 2 I I E E E E R kT I I a a a a = + + = − + + + （ + ）
●a Chapter VI Interaction between Molecules,2 Partition of van der waals interaction molecule Dipole moment Polarizability E Ep E E 10-3C.m 10-40C.m2.V kJ·mol m kJ.mol-l kJ mol-1 0 0.000 0.000 8.49 8.49 CO 0.40 0.003 0.008 8.74 8.75 HI 1.27 6.01 0.025 0.113 25.8 5.9 HBr 2.60 0.686 0.502 219 23.1 HCI 3.43 2.93 3.30 16.8 NH3 5.00 2.46 13.3 14.9 29.8 HO 6.14 165 8.99 ↓7.2 2021821 Chemistry Departme nt of Fudan University
Physical ChemistryI Chapter VI Interaction between Molecules 2021/8/21 Chemistry Department of Fudan University 8 分子 10 C m 30 − 偶极矩 40 2 1 10 C m V − − 极化率 1 e kJ mol − E 1 p kJ mol − E 1 d kJ mol − E 1 kJ mol− E Ar 0 1.81 0.000 0.000 8.49 8.49 CO 0.40 2.21 0.003 0.008 8.74 8.75 HI 1.27 6.01 0.025 0.113 25.8 25.9 HBr 2.60 3.98 0.686 0.502 21.9 23.1 HCl 3.43 2.93 3.30 1.00 16.8 21.1 NH3 5.00 2.46 13.3 1.55 14.9 29.8 H2O 6.14 1.65 36.3 1.92 8.99 47.2 Partition of van der Waals interaction Dipole moment Polarizability molecule
●a Chapter VI Interaction between Molecules,2 The interaction energy of AB can be obtained using Variational Principle(quantum mechanics) y=④+C1,+C+C2 aB AB aB =+EB+E。+Bn+ E 2021821 Chemistry Departme nt of Fudan University
Physical ChemistryI Chapter VI Interaction between Molecules 2021/8/21 Chemistry Department of Fudan University 9 = + + + AB 1 A B 2 AB 3 A B Ψ Φ C Φ C Φ C Φ e p d 0 B 0 E = EA + E + E + E + E The interaction energy of AB can be obtained using Variational Principle (Quantum mechanics)
●a Chapter VI Interaction between Molecules,2 (5)Intermolecular potential energy B E attr s 6 R rep (n=8-16) R 2021821 Chemistry Departme nt of Fudan University
Physical ChemistryI Chapter VI Interaction between Molecules 2021/8/21 Chemistry Department of Fudan University 10 (5) Intermolecular potential energy attr 6 B E R = − rep n A E R = (n=8-16)