Page 12 - Essentials of physical chemistry

Contents xi

NMR Spin Hamiltonian .......................................................................................... 424
Forensic Application of 1D-NMR .......................................................................... 427
Nuclear Magnetic Resonance: Pulse Analysis........................................................ 430
Rotating Coordinate System.................................................................................... 432
Detection of Magnetic Fields.................................................................................. 433
Bloch Equations ...................................................................................................... 434
Complex Fourier Transform.................................................................................... 438
2D-NMR COSY...................................................................................................... 438
Coherent Spectroscopy............................................................................................ 439
Product Operator COSY Analysis Using Dr. Brown’s Automated Software ........ 440
Anatomy of a 2D Experiment................................................................................. 443
Summary.................................................................................................................. 447
Problems.................................................................................................................. 447
References ............................................................................................................... 447

Appendix A: Relation between Legendre and Associated Legendre Polynomials.................. 449

Appendix B: The Hartree–Fock–Roothaan SCF Equation....................................................... 451

Appendix C: Gaussian Lobe Basis Integrals............................................................................ 457

Appendix D: Spin-Orbit Coupling in the H Atom................................................................... 459

Index............................................................................................................................................. 465

Use of PCLOBE .......................................................................................................................... 475