Electric field fluctuations drive vibrational dephasing in water.

The journal of physical chemistry. A · 2005 · Unclear · Insufficient evidence

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UnclearInsufficient evidencePaper 3558

Study snapshot

PublicationThe journal of physical chemistry. A · 2005

Study typein_vitro

Reported directionUnclear

Evidence ratingInsufficient

Abstract

We present a microscopic description of the vibrational spectroscopy of the OH stretch of HOD in liquid D(2)O. Our model predicts that OH frequency correlations decay with a sharp and rapid ( approximately 35 fs) decrease, followed by a beat at approximately 125 fs from intermolecular oxygen vibrations. On a short time scale ( approximately 200 fs), ultrafast infrared spectroscopy of the OH stretch is sensitive to localized intermolecular motions. For times longer than approximately 200 fs, cooperative molecular rearrangements drive dephasing. The interplay of electric field fluctuations, both local and cooperative, dictate vibrational frequency shifts and destroy vibrational coherence in water.

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Study typein_vitro

Effect directionunclear

PopulationNot supplied

Sample sizeNot supplied

ExposureNot supplied

Evidence strengthInsufficientConfidence: 74% · Peer reviewed: yes

Main findings

A microscopic model of the OH stretch of HOD in liquid D2O predicts a rapid initial decay of OH frequency correlations (~35 fs), followed by a beat (~125 fs) attributed to intermolecular oxygen vibrations. The abstract states that electric field fluctuations (local and cooperative) dictate vibrational frequency shifts and drive dephasing/coherence loss in water, with localized intermolecular motions relevant up to ~200 fs and cooperative rearrangements dominating beyond ~200 fs.

Outcomes measured

OH stretch vibrational frequency correlations/decay (dephasing) in HOD in liquid D2O
Vibrational coherence loss (vibrational dephasing)
Vibrational frequency shifts driven by electric field fluctuations

View raw extracted JSON

{
  "study_type": "in_vitro",
  "exposure": {
    "band": null,
    "source": null,
    "frequency_mhz": null,
    "sar_wkg": null,
    "duration": null
  },
  "population": null,
  "sample_size": null,
  "outcomes": [
    "OH stretch vibrational frequency correlations/decay (dephasing) in HOD in liquid D2O",
    "Vibrational coherence loss (vibrational dephasing)",
    "Vibrational frequency shifts driven by electric field fluctuations"
  ],
  "main_findings": "A microscopic model of the OH stretch of HOD in liquid D2O predicts a rapid initial decay of OH frequency correlations (~35 fs), followed by a beat (~125 fs) attributed to intermolecular oxygen vibrations. The abstract states that electric field fluctuations (local and cooperative) dictate vibrational frequency shifts and drive dephasing/coherence loss in water, with localized intermolecular motions relevant up to ~200 fs and cooperative rearrangements dominating beyond ~200 fs.",
  "effect_direction": "unclear",
  "limitations": [],
  "evidence_strength": "insufficient",
  "confidence": 0.74,
  "peer_reviewed_likely": "yes",
  "keywords": [
    "vibrational spectroscopy",
    "ultrafast infrared spectroscopy",
    "OH stretch",
    "HOD",
    "D2O",
    "electric field fluctuations",
    "vibrational dephasing",
    "frequency correlations",
    "intermolecular vibrations",
    "molecular rearrangements"
  ],
  "suggested_hubs": []
}

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AI-extracted fields are generated from the abstract and metadata and may be incomplete or incorrect. This material is for informational purposes and is not medical advice.

Identifiers and source

DOI: 10.1021/jp051364m
PubMed: 16866391

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