N-H…S and S -H…N intramolec ular hydr ogen bond in ۴-ami ne-۳-pente ne-۲-thial

The in tramolecula r hydrogen bond, as an specific cas e, exist in n umerous organic comp ounds and biomolecules, such as hormones, coe nzymes and proteins. T hese kinds of intramol ecular intera ctions are playing a ke y role in many areas of chemistry and can determine the most stable structure of many m olecules [۱-۲]. ۴-amine-۳-pentene-۲-thial (A PT) involved in asym metric N-H …S and N …H-S intramolecular h ydrogen bo nds which coupled with ʌ-electr on delocalization.

کلیدواژه ها:

APT ، Intramolecu lar hydrogen bond ، reso nance ، AIM and NBO.