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Karplus equation

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are empirically derived parameters whose values depend on the atoms and substituents involved. The relationship may be expressed in a variety of equivalent ways e.g. involving cos 2φ rather than cos φ —these lead to different numerical values of
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coupling constants. The superscript "3" indicates that a H atom is coupled to another H atom three bonds away, via H-C-C-H bonds. (Such hydrogens bonded to neighbouring carbon atoms are termed
232: 153: 198:). The magnitude of these couplings are generally smallest when the torsion angle is close to 90° and largest at angles of 0 and 180°. 48: 57: 230:
Minch, M. J. (1994). "Orientational Dependence of Vicinal Proton-Proton NMR Coupling Constants: The Karplus Relationship".
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This relationship between local geometry and coupling constant is of great value throughout
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Karplus, Martin (1959). "Contact Electron-Spin Coupling of Nuclear Magnetic Moments".
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Karplus, Martin (1963). "Vicinal Proton Coupling in Nuclear Magnetic Resonance".
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Generalized Karplus calculation of proton-proton coupling constants
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spectroscopy and is particularly valuable for determining
16: 117:{\displaystyle J(\phi )=A\cos ^{2}\phi +B\cos \,\phi +C} 141: 60: 184:but do not change the nature of the relationship. 147: 116: 373: 323: 287: 278: 252: 104: 223: 15: 329: 293: 49:nuclear magnetic resonance spectroscopy 374: 258: 229: 39:, describes the correlation between 13: 14: 393: 355: 266:Chemical & Engineering News 233:Concepts in Magnetic Resonance 70: 64: 20:Graph of the Karplus relation 1: 259:Dalton, Louisa (2003-12-22). 216: 187:The relationship is used for 7: 10: 398: 382:Nuclear magnetic resonance 203:nuclear magnetic resonance 280:10.1021/cen-v081n036.p037 45:dihedral torsion angles 246:10.1002/cmr.1820060104 149: 118: 28: 367:Karplus equations app 150: 148:{\displaystyle \phi } 119: 19: 139: 58: 345:10.1021/ja00901a059 309:1959JChPh..30...11K 135:coupling constant, 261:"Karplus Equation" 209:torsion angles in 145: 114: 29: 339:(18): 2870–2871. 333:J. Am. Chem. Soc. 317:10.1063/1.1729860 389: 349: 348: 327: 321: 320: 291: 285: 284: 282: 256: 250: 249: 227: 154: 152: 151: 146: 123: 121: 120: 115: 88: 87: 33:Karplus equation 397: 396: 392: 391: 390: 388: 387: 386: 372: 371: 358: 353: 352: 328: 324: 292: 288: 257: 253: 228: 224: 219: 193: 140: 137: 136: 83: 79: 59: 56: 55: 26: 12: 11: 5: 395: 385: 384: 370: 369: 364: 357: 356:External links 354: 351: 350: 322: 297:J. Chem. Phys. 286: 251: 221: 220: 218: 215: 191: 157:dihedral angle 144: 125: 124: 113: 110: 107: 103: 100: 97: 94: 91: 86: 82: 78: 75: 72: 69: 66: 63: 43:constants and 37:Martin Karplus 35:, named after 24: 9: 6: 4: 3: 2: 394: 383: 380: 379: 377: 368: 365: 363: 360: 359: 346: 342: 338: 335: 334: 326: 318: 314: 310: 306: 302: 299: 298: 290: 281: 276: 272: 268: 267: 262: 255: 247: 243: 239: 235: 234: 226: 222: 214: 212: 208: 204: 199: 197: 190: 185: 183: 179: 175: 170: 166: 162: 158: 142: 134: 130: 111: 108: 105: 101: 98: 95: 92: 89: 84: 80: 76: 73: 67: 61: 54: 53: 52: 50: 46: 42: 38: 34: 23: 18: 336: 331: 325: 303:(1): 11–15. 300: 295: 289: 270: 264: 254: 237: 231: 225: 200: 188: 186: 181: 177: 173: 168: 164: 160: 132: 128: 126: 32: 30: 21: 211:protein NMR 273:(51): 37. 217:References 41:J-coupling 240:: 41–56. 213:studies. 143:ϕ 106:ϕ 93:ϕ 90:⁡ 68:ϕ 376:Category 207:backbone 305:Bibcode 196:vicinal 155:is the 131:is the 180:, and 167:, and 159:, and 127:where 31:The 341:doi 313:doi 275:doi 242:doi 192:H,H 102:cos 81:cos 47:in 378:: 337:85 311:. 301:30 271:81 269:. 263:. 236:. 176:, 163:, 51:: 25:HH 347:. 343:: 319:. 315:: 307:: 283:. 277:: 248:. 244:: 238:6 189:J 182:C 178:B 174:A 169:C 165:B 161:A 133:J 129:J 112:C 109:+ 99:B 96:+ 85:2 77:A 74:= 71:) 65:( 62:J 22:J

Index


Martin Karplus
J-coupling
dihedral torsion angles
nuclear magnetic resonance spectroscopy
dihedral angle
vicinal
nuclear magnetic resonance
backbone
protein NMR
Concepts in Magnetic Resonance
doi
10.1002/cmr.1820060104
"Karplus Equation"
Chemical & Engineering News
doi
10.1021/cen-v081n036.p037
J. Chem. Phys.
Bibcode
1959JChPh..30...11K
doi
10.1063/1.1729860
J. Am. Chem. Soc.
doi
10.1021/ja00901a059
Generalized Karplus calculation of proton-proton coupling constants
Karplus equations app
Category
Nuclear magnetic resonance

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