Experiments to measure $^{n}J_{xy}$

A collection of experiments that can be used to measure scalar coupling constants. Validated by the Butts group, with Bruker pulse programs, parameter files, AU macros, example raw data, and example processed data included. Experiment-specific information (processing, interpretation) available in the readme.md for each experiment.

$^{2/3}J_{HH}$

Method	Ref	Benefits	Drawbacks
TOCSY
CLIP-COSY
PSYCHE 2D-J	doi: 10.1039/C5CC06293D	Could extract all $J_{HH}$ from one spectra Extra resolution compared with ^1^H NMR	Can be difficult to extract $J_{HH}$ if multiplet shape is complex or $J_{HH}$ is small Artefacts Can be difficult to figure out J between two specific protons
TSE-PSYCHE 2D-J	doi: 10.1002/mrc.4671
PSYCHEDELIC	doi: 10.1002/anie.201508691	Selective excitation means $J$ between two specific proton is easily identified - no ambiguity Easier to interpret than other 2D-J methods	Lengthy experiment time Many experiments required to measure all $J_{HH}$ Pseudo-3D means reduced sensitivity Can be tricky to selectively excite protons Spectra can be difficult to interpret Measuring small couplings <3 Hz is difficult

$^{1}J_{CH}$

Method	Ref	Benefits	Drawbacks
CLIP-HSQC		Same sensitivity as HSQC F1 provides additional resolution	Protons with similar δC may overlap
PERFECT-J-HSQC		BIRD-decoupled for high resolution Scaling factors can allow for increased resolution along F1

$^{2/3}J_{CH}$

Method	Ref	Benefits	Drawbacks
J-HMBC
IPAP-HSQMBC
EXSIDE

$^{1/2/3}J_{NH}$

Method	Ref	Benefits	Drawbacks
^1^H-^15^N HMBC (no low pass filter)		^1/2/3^JNH can be aquired from a single spectrum

$^{1/2/3}J_{CN}$

Method	Ref	Benefits	Drawbacks

1. HCNMBC

${^1/2/3}J_{FH}$

Method	Ref	Benefits	Drawbacks

1. ^19^F-^13^C HMBC (no low pass filter)