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Themolecular conformations of crystalline l-cysteineprepared in its orthorhombic form were determined by the vibrationalcross angle measurements. Its major dihedral angles of chemical bondsdetermined by this method are consistent with the results from diffractionexperiments. In addition, the relative orientations of the chemicalbonds associated with the hydrogen atoms of the NH3+group and the thiol group are also determined. The resultsdemonstrate that the vibrational cross angle method based on the multiple-modeapproach can potentially become a structural tool for determiningmolecular conformations. The major challenges for the method to becomea general molecular structural tool are discussed, and some approachesto address them are proposed. [ABSTRACT FROM AUTHOR]

Ultrafast multiple-dimensional vibrational spectroscopy has been extensively applied to studies of molecular structures and dynamics in condensed phases. Along with the developments of new laser sources and new concepts, increasing improvements and applications of this technique have brought the understanding of molecular systems to a new level. In this review, we first briefly introduce the basic concepts, experimental setups and applications of the technique. The most recent progresses in applying vibrational energy transfers to determine intermolecular distances and vibrational couplings to determine three dimensional molecular conformations with our high power multiple-mode multiple-dimensional vibrational spectroscopy are then introduced in more details. [ABSTRACT FROM AUTHOR]