Arginine zwitterion is more stable than the canonical form when solvated by a water molecule

作者：Im Suk; Jang Sung Woo; Lee Sungyul^*; Lee Yonghoon; Kim Bongsoo

来源：Journal of Physical Chemistry A, 2008, 112(40): 9767-9770.

DOI：10.1021/jp801933y

We present calculations for the Arg-H2O system and predict that the zwitterionic Arg is thermodynamically more stable than the canonical form in the gas phase under the influence of a single water molecule because of the strongly basic guanidine side chain. Canonical conformers of Arg-H2O are found to isomerize to the zwitterionic forms via a small barrier (similar to 6 kcal/mol).

• 出版日期2008-10-9